Biphenyl supplier | CasNO.92-52-4

Name
1,1'-Biphenyl
EINECS 202-163-5
CAS No. 92-52-4
Article Data3215
CAS DataBase
Density 0.997 g/cm³
Solubility insoluble in water
Melting Point 68-70 °C(lit.)
Formula C₁₂H₁₀
Boiling Point 257.956 °C at 760 mmHg
Molecular Weight 154.211
Flash Point 105.492 °C
Transport Information UN 3077 9/PG 3
Appearance white crystals
Safety 23-60-61-62-36/37-33-29-16-9-45
Risk Codes 36/37/38-50/53-67-65-62-48/20-11-39/23/24/25-23/24/25
Molecular Structure
Hazard Symbols Xn, Xi, N, F, T
Synonyms 1,1'-Biphenyl;Dipheny;Biphenyl(8CI);1,1'-Diphenyl;Bibenzene;Carolid AL;Diphenyl;NSC 14916;Phenylbenzene;Tetrosin LY;
PSA 0.00000
LogP 3.35360

Synthetic route

: 132-65-0
dibenzothiophene

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With Ni-MoS2 supported on γ-Al2O3 at 320℃; Temperature; Reagent/catalyst;	100%
With 3-Hydroxy-1-methylpiperidine; nickel diacetate; sodium hydride In tetrahydrofuran at 65℃; for 1.25h;	95%
With lithium aluminium tetrahydride; (2,2'-bipyridyl)(1,5-cyclooctadiene)nickel In tetrahydrofuran at 55 - 60℃; for 48h; Product distribution; further reagent ratio;	90%

: 108-86-1
bromobenzene

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With palladium diacetate; triethylamine; 2-diphenylphosphino-2'-methylbiphenyl In N,N-dimethyl-formamide at 100℃; for 5h; Ullmann reaction; Inert atmosphere;	100%
With potassium carbonate In ethanol; water at 20℃; for 12h; Ullmann Condensation;	100%
dibromobis(triphenylphosphine)nickel(II); tetraethylammonium iodide; zinc In tetrahydrofuran at 50℃; for 1.5h;	99%

: 591-50-4
iodobenzene

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With [Pd{C6H4(CH2N(CH2Ph)2)}(μ-Br)]2; potassium carbonate In 1-methyl-pyrrolidin-2-one at 130℃; for 2h; Microwave irradiation;	100%
With sodium tetraphenyl borate; sodium carbonate In 1-methyl-pyrrolidin-2-one at 130℃; for 4h; Suzuki coupling; Inert atmosphere;	99%
With potassium carbonate In ethanol; water at 80℃; for 4h; Reagent/catalyst; Solvent; Ullmann Condensation; Green chemistry;	99.2%

: 2051-61-8
m-chlorobiphenyl

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With water In ethanol for 30h; Irradiation; Sealed tube; Inert atmosphere;	100%
With water; potassium formate at 100℃; for 24h; Inert atmosphere;	91%
With sodium hydroxide; Raney Ni-Al alloy In water at 60℃; for 2h; Irradiation;	83%

: 92-66-0
4-bromo-1,1'-biphenyl

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With hydrogen In methanol at 20℃; for 24h;	100%
Stage #1: 4-bromo-1,1'-biphenyl With n-butyllithium In tetrahydrofuran at -50℃; for 0.5h; Stage #2: With phenylacetonitrile In tetrahydrofuran at -50 - 20℃; for 0.5h; Further stages;	99%
With [RhCl2(p-cymene)]2; potassium tert-butylate In isopropyl alcohol at 20 - 100℃; for 24h; Inert atmosphere;	97%

: 100-58-3
phenylmagnesium bromide

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With 3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone at -20℃; Product distribution / selectivity;	100%
With iron(III) chloride; 1,2-dichloro-ethane In tetrahydrofuran at 0℃; for 0.0833333h; Ionic liquid; Inert atmosphere;	100%
With 1,2-bisperfluorotolyl-3,3,4,4,5,5-hexafluorocyclopentene In tetrahydrofuran at 25℃; for 1h; Reagent/catalyst; Inert atmosphere;	99%

: 603-33-8
triphenylbismuthane

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With triethylamine; palladium diacetate In N,N,N,N,N,N-hexamethylphosphoric triamide at 65℃; for 0.166667h;	100%
With para-bromotoluene; C22H25ClNPPdS; potassium carbonate In 1,4-dioxane at 100℃; for 6h; Inert atmosphere; Schlenk technique;	48%
With 2-thioxo-3H-1,3-benzothiazole; copper diacetate; bis(dibenzylideneacetone)-palladium(0) In 1,2-dichloro-ethane at 80℃; for 24h; Inert atmosphere;	19 %Chromat.

: 507233-69-4, 594-30-9, 28719-54-2
triphenyl bismuth (2+); dichloride

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With triethylamine; palladium diacetate In tetrahydrofuran for 0.5h; Ambient temperature;	100%

: 108-90-7
chlorobenzene

: 100-58-3
phenylmagnesium bromide

: 92-52-4
biphenyl

Conditions

Conditions	Yield
nickel(II) In tetrahydrofuran for 18h; Product distribution; other catalyst, other solvents; other Grignard compounds and alkyl or vinyl halides;	100%
With CpNi[1-(ethoxycarbonyl)methyl-3-(3,5-dimethylbenzyl)benzimidazolin-2-ylidene]Br In tetrahydrofuran at 25℃; for 3h; Kumada Cross-Coupling; Inert atmosphere; Schlenk technique;	97%
With Pd/Al(OH)3 In toluene at 140℃; for 36h; Kumada Cross-Coupling; Inert atmosphere;	94%

: 108-90-7
chlorobenzene

: 98-80-6
phenylboronic acid

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With Cs2O3; PCy3 adduct of cyclopalladated ferrocenylimine In 1,4-dioxane at 100℃; for 15h; Suzuki cross-coupling reaction;	100%
With dichloro(cycloocta-1,5-diene)palladium (II); 2,2-[μ-(N,N'-piperazindiyl)dimethyl]-bis(4,6-di-tert-butyl-phenol); potassium carbonate In methanol for 0.166667h; Suzuki cross-coupling reaction; Microwave irradiation; Inert atmosphere;	100%
With potassium carbonate In methanol at 100℃; for 0.0833333h; Suzuki-Miyaura Coupling; Microwave irradiation;	100%

: 2051-62-9
4'-biphenyl chloride

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With sodium tetrahydroborate; 2-methoxy-ethanol; nickel dichloride In tetrahydrofuran at 68℃; for 1.25h; Product distribution; other dechlorinating agents and times;	100%
With potassium hydroxide; CpRh(OAc)2H2O In various solvent(s) for 17h; Heating;	100%
With sodium tetrahydroborate; lithium chloride In diethylene glycol dimethyl ether r.t., 30 min then 130 deg C, 10 min;	99%

: 108-86-1
bromobenzene

: 98-80-6
phenylboronic acid

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With potassium carbonate; {1,3-di[(R)-1-PhEt]imidazolin-2-ylidene}(PPh3)PdI2 In xylene at 130℃; for 13h; Suzuki-Miyaura cross-coupling reaction;	100%
With potassium phosphate; triphenylphosphine; Ni(II) complexes of bidentate carbene; phosphine ligand In toluene at 80℃; Suzuki cross-coupling;	100%
With [PdCl2(2-ethyl-2-oxazoline)2]; potassium carbonate In toluene at 110℃; for 3h; Suzuki reaction;	100%

: 591-50-4
iodobenzene

: 98-80-6
phenylboronic acid

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With potassium carbonate; copper-palladium In N,N-dimethyl-formamide at 110℃; Kinetics; Product distribution; Further Variations:; Catalysts; Reaction partners; Suzuki cross-coupling;	100%
With sodium hydroxide; Pd-dodecanethiolate nanoparticles In tetrahydrofuran at 20℃; for 24h; Suzuki-Miyaura cross-coupling;	100%
With sodium carbonate; 1-butyl-3-methylimidazolium Tetrafluoroborate; 2C10H15N2(1+)*Cl4Pd(2-) In water at 110℃; for 12h; Conversion of starting material; Suzuki Coupling;	100%

: 2052-07-5
2-Bromobiphenyl

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With LiCrH42LiCl2THF In tetrahydrofuran at 25℃;	100%
With vanadium monochloride In tetrahydrofuran at 25℃; for 12h; Inert atmosphere;	100%
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; potassium tert-butylate; isopropyl alcohol at 100℃; Schlenk technique; Inert atmosphere;	96%

: 1591-31-7
4-iodo-biphenyl

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With LiCrH42LiCl2THF In tetrahydrofuran at 25℃; for 12h;	100%
With potassium tert-butylate; benzyl alcohol In N,N-dimethyl-formamide at 90℃; for 2h; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere;	98%
With potassium tert-butylate; benzaldehyde In N,N-dimethyl-formamide at 90℃; for 2h; Schlenk technique; Inert atmosphere;	96%

: 98-80-6
phenylboronic acid

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With Tetradecanoic acid 1-methylethyl ester; palladium diacetate; potassium carbonate In water at 20℃; for 0.25h; Catalytic behavior; Reagent/catalyst; Green chemistry;	100%
With bis[1-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)-3-methyl-4-phenyl-1,2,3-triazol-5-ylidene]palladium(II) iodide; potassium tert-butylate; chlorobenzene In ethanol at 20℃; for 2h; Reagent/catalyst; Inert atmosphere;	100%
With Triphenylmethylamin; potassium carbonate; 4-chlorobenzonitrile; palladium dichloride In water at 20℃; for 24h;	99%

: 93-59-4
Perbenzoic acid

: 24364-84-9
bis-benzenesulfenyl-amine

A: 93-99-2
benzoic acid phenyl ester

B: 92-52-4
biphenyl

C: 65-85-0
benzoic acid

D: 882-33-7
diphenyldisulfane

E N2, tar: N2, tar

Conditions

Conditions	Yield
In benzene Kinetics; Product distribution; Mechanism; isotopic effect, effect of benzoic acid and styrene on the reaction;	A 1.4% B 0.2% C 100% D 50% E n/a

...Expand

: 591-50-4
iodobenzene

: tetra-n-butylammonium phenyltrifluoroborate

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With caesium carbonate; 1,4-di(diphenylphosphino)-butane; palladium diacetate In 1,2-dimethoxyethane; water at 20℃; for 12h;	100%

: 591-50-4
iodobenzene

: 149-74-6
dichloromethylphenylsilane

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With potassium hydroxide; palladium on activated charcoal In water at 100℃;	100%
With potassium hydroxide; palladium on activated charcoal In water Heating;	100%

: 104-92-7
1-bromo-4-methoxy-benzene

: 98-80-6
phenylboronic acid

A: 92-52-4
biphenyl

B: 613-37-6
4-methoxylbiphenyl

Conditions

Conditions	Yield
With potassium hydroxide In toluene at 100℃; for 6h; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique;	A n/a B 100%
With C34H28Cl2N2P2Pd(2+); potassium carbonate In isopropyl alcohol at 20℃; for 4h; Reagent/catalyst; Suzuki-Miyaura Coupling;	A 3% B 98%
With potassium carbonate In ethanol; water at 60℃; for 5h; Catalytic behavior; Suzuki-Miyaura Coupling;	A 6.3% B 87%

...Expand

: 586-78-7
para-nitrophenyl bromide

: 98-80-6
phenylboronic acid

A: 92-52-4
biphenyl

B: 92-93-3
1-phenyl-4-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In ethanol; water at 60℃; for 5h; Catalytic behavior; Suzuki-Miyaura Coupling;	A 11% B 100%
With potassium tert-butylate; tetrabutylammomium bromide; palladium diacetate In tetrahydrofuran; water at 50℃; for 24h; Suzuki-type cross-coupling reaction;	A 1% B 99%
With Triphenylmethylamin; potassium carbonate; palladium dichloride In water at 20℃; for 20h; Suzuki-Miyaura reaction;	A 6% B 98%
With potassium carbonate; copper-palladium In N,N-dimethyl-formamide at 110℃; for 0.5h; Kinetics; Product distribution; Further Variations:; Reaction partners; Suzuki cross-coupling;	A n/a B 95.5%

...Expand

: 1483-73-4
diphenyliodonium bromide

: mercury

A: 591-50-4
iodobenzene

B: 92-52-4
biphenyl

C: mercury(I) bromide

D: 1192-89-8
bromo(phenyl)mercury

E: 71-43-2
benzene

Conditions

Conditions	Yield
In acetonitrile Kinetics; byproducts: C6H5Br; at different temp. between 20-70°C; UV; yields for 45°C;	A 100% B 6-7 C n/a D n/a E 1.4%

...Expand

: 1483-72-3
diphenyliodonium chloride

: mercury

A: 591-50-4
iodobenzene

B: mercury(I) chloride

C: 92-52-4
biphenyl

D: 100-56-1
phenylmercury(II) chloride

E: 71-43-2
benzene

Conditions

Conditions	Yield
In acetonitrile Kinetics; at different temp. between 20-70°C; UV; yields for 45°C;	A 100% B 10-11 C 4-5 D 89-92 E 1.4%

...Expand

: 108-86-1
bromobenzene

: 98-80-6
phenylboronic acid

A: 92-52-4
biphenyl

B: 146175-56-6
bromoboronate

Conditions

Conditions	Yield
With K2CO3; diiodo(1,3-di[(R)-1-phenylethyl]imidazolin-2-ylidene)(triphenylphosphino)palladium(II) In xylene the mixt. in xylene was heated at 130°C for 13 h (N2); H2O was added, the aq. phase was extd. with diethyl ether, the organic phase was dried over MgSO4;	A 100% B n/a

...Expand

: 28557-00-8
phenylzinc chloride

: 106-95-6
allyl bromide

A: 300-57-2
allylbenzene

B: 92-52-4
biphenyl

C: zinc dibromide

Conditions

Conditions	Yield
tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran Ar atmosphere; stirring (20°C, 5 mole-% catalyst, 3.5 h);	A 100% B 0% C n/a
bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran Ar atmosphere; stirring (20°C, 5 mole-% catalyst, 3 h);	A 55% B 40% C n/a

...Expand

: 591-87-7
Allyl acetate

: 28557-00-8
phenylzinc chloride

A: 300-57-2
allylbenzene

B: 92-52-4
biphenyl

C: 557-34-6
zinc diacetate

Conditions

Conditions	Yield
tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran Ar atmosphere; stirring (20°C, 5 mole-% catalyst, 5 h);	A 100% B 0% C n/a

...Expand

: diphenyliodonium tetrafluoroborate

: 12775-96-1, 15158-11-9, 15721-63-8, 16941-75-6, 17493-86-6, 19498-52-3, 20499-83-6, 20499-84-7, 20499-85-8, 20499-86-9, 20573-10-8, 20573-11-9, 21595-51-7, 21595-52-8, 22206-52-6, 26445-28-3, 28959-95-7, 37362-93-9, 39417-05-5, 54603-16-6, 54603-23-5, 54603-32-6, 54603-40-6, 54603-48-4, 54603-81-5, 54603-89-3, 56316-56-4, 95985-91-4, 122297-32-9, 7440-50-8
copper

A: 462-06-6
fluorobenzene

B: 591-50-4
iodobenzene

C: 92-52-4
biphenyl

D: 14708-11-3
copper(I) tetrafluoroborate

E: 71-43-2
benzene

Conditions

Conditions	Yield
In acetonitrile Kinetics; stirred at 20-70°C; GLC;	A <1 B 100% C 95% D 99% E 5%

...Expand

: 97939-92-9
triphenylphosphinediiodogermylene

: 591-51-5
phenyllithium

A: 591-50-4
iodobenzene

B: 92-52-4
biphenyl

C: 2816-43-5
triphenylgermane

D: 1048-05-1
tetraphenylgermane

E: 603-35-0
triphenylphosphine

Conditions

Conditions	Yield
In diethyl ether under N2, to suspn. of Ph3PGeI2 in ether PhLi added dropwise (1:4 molarratio), stirred for 5 d under reflux, hydrolyzed; dried, analyzed by gas chromy.;	A 10% B 13% C 39% D 36% E 100%
In diethyl ether under N2, to suspn. of Ph3PGeI2 in ether PhLi added dropwise (1:1 molarratio), stirred for 5 d under reflux, hydrolyzed; dried, analyzed by gas chromy.;	A 2.9% B 2.9% C 1.9% D 14% E 82%
In diethyl ether under N2, to suspn. of Ph3PGeI2 in ether PhLi added dropwise (1:2 molarratio), stirred for 5 d under reflux, hydrolyzed; dried, analyzed by gas chromy.;	A 7.7% B 9.6% C 1.3% D 19% E 79%

...Expand

: 888039-38-1
(2E)-ethyl 3-chloro-2-iodobut-2-enoate

: 98-80-6
phenylboronic acid

A: 92-52-4
biphenyl

B: 945-93-7, 13979-22-1, 1504-72-9
ethyl (E)-3-phenylbut-2-enoate

Conditions

Conditions	Yield
With caesium carbonate; tri tert-butylphosphoniumtetrafluoroborate; tris(dibenzylideneacetone)dipalladium (0) In 1,4-dioxane for 4h; Heating;	A 100% B 99%

...Expand

: 108-86-1
bromobenzene

: 7517-19-3
methyl (L)-leucinate hydrochloride

A: 92-52-4
biphenyl

B: 78603-97-1
(S)-2-amino-1,1-diphenyl-4-methylpentan-1-ol

Conditions

Conditions	Yield
Stage #1: bromobenzene With magnesium In diethyl ether at 40℃; Inert atmosphere; Stage #2: methyl (L)-leucinate hydrochloride In diethyl ether at 0 - 20℃; for 15.5h;	A n/a B 100%

...Expand

: 92-52-4
biphenyl

: 4794-05-2
3-phenyl-1,4-cyclohexadiene

Conditions

Conditions	Yield
With ammonia; lithium In diethyl ether; water at -78 - -25℃; for 0.5h;	100%
With ammonia; lithium In diethyl ether for 0.416667h;	92%
With ammonia; sodium In diethyl ether at -78℃; Birch Reduction;	50%

: 92-52-4
biphenyl

: 3001-15-8
4,4'-diiodobiphenyl

Conditions

Conditions	Yield
With sulfuric acid; iodine; periodic acid; acetic acid In tetrachloromethane at 80℃; for 4h;	100%
With iodine; bis-[(trifluoroacetoxy)iodo]benzene In tetrachloromethane for 0.25h; Ambient temperature;	87%
With iodine; bis-[(trifluoroacetoxy)iodo]benzene In tetrachloromethane for 0.25h; Ambient temperature;	87%

: 92-52-4
biphenyl

: 79-30-1
isobutyryl chloride

: 6976-20-1
1-([1,1′-biphenyl]-4-yl)-2-methylpropan-1-one

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane at 0 - 20℃; for 14.5h;	100%
With aluminium trichloride In carbon disulfide Friedel-Crafts acylation; Heating;	54%
With carbon disulfide; aluminium trichloride
With aluminium trichloride In carbon disulfide
With aluminum (III) chloride In 1,2-dichloro-ethane at 5 - 10℃; for 5h; Solvent; Temperature;

: 92-52-4
biphenyl

: 507-20-0
tertiary butyl chloride

: 1625-91-8
4,4'-di-tert-butylbiphenyl

Conditions

Conditions	Yield
iron(III) chloride In dichloromethane at 20℃;	100%
With iron(III) chloride In dichloromethane	100%
With iron(III) chloride In dichloromethane at 22 - 40℃;	97%

Biphenyl Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory. Community Right-To-Know List.

Biphenyl Standards and Recommendations

OSHA PEL: TWA 0.2 ppm
ACGIH TLV: TWA 0.2 ppm
DFG MAK: 0.16 ppm (1 mg/m³)

Biphenyl Analytical Methods

For occupational chemical analysis use NIOSH: Biphenyl, 2530.

Biphenyl Specification

The Biphenyl , with cas registry number of 92-52-4, has other registry numbers including 56481-93-7, 72931-46-5. It belongs to classification codes which are (1)Agricultural Chemical ; (2)Fungicide, bactericide, wood preservative ; (3)Fungicides, industrial ; (4)Human Data ; (5)Mutation data ; (6)Pesticides ; (7)Skin / Eye Irritant ; (8)TSCA Flag T [Subject to the Section 4 test rule under TSCA] ; (9)Tumor data ; (10)Unspecified / Unclassified pesticide. Its systematic name is called biphenyl . And its IUPAC name is known as 1,1'-biphenyl . This chemical is stable but incompatible with strong oxidising agents. Store it at temperature of 0-6°C.

Physical properties about this chemical are: (1) ACD/LogP: 3.98 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 3.98 ; (4) ACD/LogD (pH 7.4): 3.98 ; (5) ACD/BCF (pH 5.5): 618.76 ; (6) ACD/BCF (pH 7.4): 618.76 ; (7) ACD/KOC (pH 5.5): 3465.55 ; (8) ACD/KOC (pH 7.4): 3465.55 ; (9) #H bond acceptors: 0 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 1 ; (12) Index of Refraction: 1.571; (13) Molar Refractivity: 50.84 cm³ ; (14) Molar Volume: 154.7 cm³ ; (15) Surface Tension: 36.6 dyne/cm; (16) Density: 0.996 g/cm³ ; (17) Flash Point: 105.5 °C ; (18) Enthalpy of Vaporization: 47.55 kJ/mol ; (19) Boiling Point: 258 °C at 760 mmHg ; (20) Vapour Pressure: 0.0227 mmHg at 25°C ; (21) Refractive index: 1.475.

Preparation of Biphenyl : this chemical can be prepared by dibenzothiophene .

This reaction will need reagents N-methyl-3-hydroxypiperidine, NaH, Ni (OAc)₂, solvent tetrahydrofuran at temperature 65 ℃. The reaction time is 1.25 hours. The yield is about 95%.

Uses of Biphenyl : (1)it is commonly used as the raw materials for engineering plastics polysulfone which is used to produce trichloro biphenyl, biphenyl pentachlorophenol,and can be used as heat carrier, preservatives, dyes, etc. (2) it can be used to produce other chemicals such as bicyclohexyl .

This reaction occurs at temperature 160 ℃ using reagents MmNi₃.5Co0.7Al0.8H4 under reaction pressure 3677.5. The reaction time is 3 hours. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
Poison by intravenous route. Moderately toxic by ingestion. A powerful irritant by inhalation in humans. Human systemic effects by inhalation of very small amounts: flaccid paralysis, nausea or vomiting, and other unspecified gastrointestinal effects. Questionable carcinogen with experimental tumorigenic and neoplastigenic data. Mutation data reported. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use CO₂, dry chemical, water spray, mist, fog. When heated to decomposition it emits acrid smoke and fumes.

You can still convert the following datas into molecular structure:
(1)SMILES:c1cc(ccc1)c2ccccc2;
(2)InChI:InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H;
(3)InChIKey:ZUOUZKKEUPVFJK-UHFFFAOYAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	oral	> 2600mg/kg (2600mg/kg)		"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A166, Pg. 1983,
human	TCLo	inhalation	4400ug/m³ (4.4mg/m³)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) GASTROINTESTINAL: NAUSEA OR VOMITING GASTROINTESTINAL: OTHER CHANGES	Archives of Environmental Health. Vol. 26, Pg. 70, 1973.
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00198,
mouse	LD50	oral	1900mg/kg (1900mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. Vol. 24, Pg. 268, 1983.
rabbit	LD50	oral	2400mg/kg (2400mg/kg)		Nagoya Shiritsu Daigaku Igakkai Zasshi. Journal of the Nagoya City University Medical Association. Vol. 28, Pg. 983, 1977.
rabbit	LD50	skin	> 5010mg/kg (5010mg/kg)		Monsanto Co. Toxicity Information.
rat	LC	inhalation	> 200mg/m³ (200mg/m³)		Monsanto Co. Toxicity Information.
rat	LD50	oral	2140mg/kg (2140mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETION	National Technical Information Service. Vol. OTS0546109,
rat	LD50	unreported	4500mg/kg (4500mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(5), Pg. 6, 1988.

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