1-Hydroxybenzotriazole supplier

Name
1-Hydroxybenzotriazole
EINECS 219-989-7
CAS No. 2592-95-2
Article Data44
CAS DataBase
Density 1.51 g/cm³
Solubility 4.201g/L at 29℃
Melting Point 156-159 °C
Formula C₆H₅N₃O
Boiling Point 344.6 °C at 760 mmHg
Molecular Weight 135.125
Flash Point 162.2 °C
Transport Information
Appearance white to light yellow powder
Safety 16-33-7/9-26-45-53-15
Risk Codes 11-5-36/38-36/37/38-36-20/21-61
Molecular Structure
Hazard Symbols F,Xi,T
Synonyms 1H-Benzotriazole,1-hydroxy-;1-Hydroxybenzotriazole(HOBt);HOBT, anhydrous;Benzotriazol-1-ol;1-Hydroxybenzotriazole anhydrous (HOBt);1-Hydroxybenzotrizole;HOBT (1-Hydroxybenzotrizole);1-Hydroxybenzotriazole (HOBT);1-Hydroxy Benzotrizole;Benzazimidol;HOBt anhydrous;1-Hydroxybenzotriazole anhydrous (HOBT anh.);
PSA 61.80000
LogP 0.66350

Synthetic route

: 88-73-3
2-Chloronitrobenzene

: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
With hydrazine hydrate In n-heptan1ol at 110 - 120℃; for 5h;	95%
With hydrazine hydrate In ethanol for 24h; Reflux;
With hydrazine hydrate In ethanol for 20h; Reflux;

: 98-95-3
nitrobenzene

: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
With hydrogenchloride; sodium carbonate In water; toluene	90.1%

: 3034-19-3
(2-nitrophenyl)hydrazine

: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
With triethylamine In xylene for 3h; Heating;	62%
With alkaline solution
With ammonium hydroxide

: 18355-05-0
1-hydroxybenzotriazolyl acetate

: menthyl alcohol

: acetic acid mentyl ester

B: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
With tetrabutylammonium tricarbonylnitrosylferrate In hexane at 20 - 80℃; Molecular sieve; Inert atmosphere;	A 5% B n/a

...Expand

: 2216-12-8
1-nitro-2-phenoxy-benzene

: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
at 140 - 150℃; im Rohr;

: 95-14-7
1,2,3-Benzotriazole

: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
With sodium tungstate; dihydrogen peroxide

: Phosphoric acid benzotriazol-1-yl ester (2R,3R,4R,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-[4-(4-methoxy-phenylamino)-2-oxo-2H-pyrimidin-1-yl]-4-(tetrahydro-pyran-2-yloxy)-tetrahydro-furan-3-yl ester 2-chloro-phenyl ester

A: 2592-95-2
benzotriazol-1-ol

B: Phosphoric acid (2R,3R,4R,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-[4-(4-methoxy-phenylamino)-2-oxo-2H-pyrimidin-1-yl]-4-(tetrahydro-pyran-2-yloxy)-tetrahydro-furan-3-yl ester 2-chloro-phenyl ester

Conditions

Conditions	Yield
With water stability study;

: 7803-57-8
hydrazine hydrate

: 88-73-3
2-Chloronitrobenzene

: 2592-95-2
benzotriazol-1-ol

: 64-17-5
ethanol

: 7803-57-8
hydrazine hydrate

: 88-73-3
2-Chloronitrobenzene

: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
at 140 - 150℃;

...Expand

: 7803-57-8
hydrazine hydrate

: 88-73-3
2-Chloronitrobenzene

hexalin: hexalin

: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
at 140 - 150℃;

...Expand

: 91-23-6
2-Nitroanisole

alcoholic hydrazine hydrate: alcoholic hydrazine hydrate

: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
at 140 - 150℃; im Rohr;

: 64-17-5
ethanol

: 2217-65-4
bis(2-nitrophenyl)ether

aqueous hydrazine solution: aqueous hydrazine solution

A: 2592-95-2
benzotriazol-1-ol

B: 88-75-5
2-hydroxynitrobenzene

...Expand

: 64-17-5
ethanol

: 577-19-5
2-nitrophenyl bromide

: 7803-57-8
hydrazine hydrate

: 2592-95-2
benzotriazol-1-ol

...Expand

: 2216-12-8
1-nitro-2-phenoxy-benzene

alcoholic hydrazine hydrate: alcoholic hydrazine hydrate

: 2592-95-2
benzotriazol-1-ol

: 64-17-5
ethanol

: 27064-00-2
1-chloro-2-(2-nitrophenoxy)benzene

aqueous hydrazine solution: aqueous hydrazine solution

A: 95-57-8
2-monochlorophenol

B: 2592-95-2
benzotriazol-1-ol

...Expand

: 64-17-5
ethanol

: 5950-83-4
2,4'-dinitrodiphenyl ether

: 7803-57-8
hydrazine hydrate

A: 100-02-7
4-nitro-phenol

B: 2592-95-2
benzotriazol-1-ol

...Expand

: 64-17-5
ethanol

: 2914-74-1
2,3'-dinitrodiphenyl ether

aqueous hydrazine: aqueous hydrazine

A: 554-84-7
meta-nitrophenol

B: 2592-95-2
benzotriazol-1-ol

...Expand

: 64-17-5
ethanol

: 16309-46-9
4-carboxy-2'-nitrodiphenyl ether

: 7803-57-8
hydrazine hydrate

A: 2592-95-2
benzotriazol-1-ol

B: 99-96-7
4-hydroxy-benzoic acid

...Expand

: 22713-34-4
1-methoxy-1H-benzo[d][1,2,3]triazole

: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
With sodium thiophenolate In dimethylsulfoxide-d6; chloroform-d1 Kinetics; demethylation;

: 110-91-8
morpholine

: O-(diethylcarbamoyl)-1-hydroxybenzotriazole

A: 89609-67-6
N,N-diethylmorpholine-4-carboxamide

B: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
In acetonitrile at 30℃; Kinetics; Further Variations:; Temperatures;
In acetonitrile at 30℃; Kinetics; Temperature;

...Expand

: 2075-46-9
4-nitro-1H-pyrazole

: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
palladium In tetrahydrofuran

: 110-89-4
piperidine

: O-(diethylcarbamoyl)-1-hydroxybenzotriazole

A: 59486-99-6
N,N-diethylpiperidine-1-carboxamide

B: 2592-95-2
benzotriazol-1-ol

Conditions

Conditions	Yield
In acetonitrile at 30℃; Kinetics; Temperature;

...Expand

: 856698-55-0
9-methoxy-2,3-dimethyl-9-phenyl-7H-8,9-dihydropyrano[2,3-c]imidazo[1,2-a]pyridine-6-carboxylic acid

: 94790-37-1
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

: 74-89-5
methylamine

A: 856698-58-3
9-methoxy-2,3-dimethyl-9-phenyl-7H-8,9-dihydropyrano[2,3-c]imidazo[1,2-a]pyridine-6-carboxylic acid methylamide

B: 2592-95-2
benzotriazol-1-ol

C: 632-22-4
tetramethylurea

Conditions

Conditions	Yield
Stage #1: 9-methoxy-2,3-dimethyl-9-phenyl-7H-8,9-dihydropyrano[2,3-c]imidazo[1,2-a]pyridine-6-carboxylic acid; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate In dichloromethane for 2h; Heating / reflux; Stage #2: methylamine In ethanol; dichloromethane at 20℃; for 1h;

...Expand

: 288315-03-7
3,3-difluoroazetidine hydrochloride

: 960003-54-7
9-methoxy-2,3-dimethyl-9-(2-methylphenyl)-7H-8,9-dihydro-pyrano[2,3-c]-imidazo[1,2-a]pyridine-6-carboxylic acid hydrochloride

: 94790-37-1
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

A: 960003-55-8
(3,3-difluoro-azetidin-1-yl)-(9-methoxy-2,3-dimethyl-9-(2-methylphenyl)-7H-8,9-dihydro-pyrano[2,3-c]-imidazo[1,2-a]pyridin-6-yl)-methanone

B: 2592-95-2
benzotriazol-1-ol

C: 632-22-4
tetramethylurea

Conditions

Conditions	Yield
Stage #1: 9-methoxy-2,3-dimethyl-9-(2-methylphenyl)-7H-8,9-dihydro-pyrano[2,3-c]-imidazo[1,2-a]pyridine-6-carboxylic acid hydrochloride; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 50℃; for 2h; Stage #2: 3,3-difluoroazetidine hydrochloride In N,N-dimethyl-formamide at 50℃; for 4h;

...Expand

: 1551373-10-4
C9H8BrN3O2

A: 2592-95-2
benzotriazol-1-ol

B: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With water

: 2592-95-2
benzotriazol-1-ol

: N,N,N',N'-tetramethylchloroformamidinium hexafluorophosphate

: 94790-37-1
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

Conditions

Conditions	Yield
With triethylamine In dichloromethane	100%

: 2592-95-2
benzotriazol-1-ol

: 407-25-0
trifluoroacetic anhydride

: 1-trifluoroacetoxybenzotriazole

Conditions

Conditions	Yield
for 0.5h;	100%

: 65872-41-5
cefotaxime

: 2592-95-2
benzotriazol-1-ol

: 71445-20-0
1-[(Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetoxy]benzotriazole

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In tetrahydrofuran 0 deg C, 1 h, 20 deg C, 12 h;	100%
With dicyclohexyl-carbodiimide In tetrahydrofuran for 2h; Ambient temperature;	82%
With dicyclohexyl-carbodiimide In dichloromethane

: 2592-95-2
benzotriazol-1-ol

: (R)-3-((S)-2-Benzyloxycarbonylamino-5-tert-butoxycarbonylamino-pentanoylamino)-hexadecanoic acid

: 331866-82-1
(R)-3-((S)-2-Benzyloxycarbonylamino-5-tert-butoxycarbonylamino-pentanoylamino)-hexadecanoic acid benzotriazol-1-yl ester

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2h;	100%

: 75-09-2
dichloromethane

: 2592-95-2
benzotriazol-1-ol

: 3912-23-0
1-chloromethoxy-1H-benzotriazole

Conditions

Conditions	Yield
at 55℃;	100%

: 30223-22-4
S-benzyl-S-methyl-sulfodiimine

: 2592-95-2
benzotriazol-1-ol

: 68930-15-4
1-(benzyloxy)-1H-benzo[d][1,2,3]triazole

Conditions

Conditions	Yield
With N-tert-butoxycarbonyl-L-phenylalanine; dicyclohexyl-carbodiimide	100%

: 383913-02-8
(S)-2-(2-Acetylamino-acetylamino)-N-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-succinamic acid

: 2592-95-2
benzotriazol-1-ol

: 383913-03-9
(S)-2-(2-Acetylamino-acetylamino)-N-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-succinamic acid benzotriazol-1-yl ester

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In 1-methyl-pyrrolidin-2-one at 20℃; for 2h;	100%

: 2592-95-2
benzotriazol-1-ol

: 945606-93-9
((S)-5-Benzyloxycarbonylamino-7-chloro-6-hydroxy-heptyl)-carbamic acid tert-butyl ester

: C12H25N2O3Cl*C6H5ON3

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol at 23℃; for 0.5h;	100%

: 10147-36-1
n-propanesulfonyl chloride

: 2592-95-2
benzotriazol-1-ol

: 637031-27-7
1-hydroxybenzotriazol propanesulfonate

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at 0℃; for 1h;	100%

: 2458-12-0
3-amino-p-toluic acid

: 2592-95-2
benzotriazol-1-ol

: 765-30-0
Cyclopropylamine

: 623155-19-1
3-amino-N-cyclopropyl-4-methylbenzamide

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; DMF (N,N-dimethyl-formamide) at 54℃; for 1.83333h;	100%

...Expand

: 2592-95-2
benzotriazol-1-ol

: N-hydroxybenzotriazole ammonium salt

Conditions

Conditions	Yield
With ammonia In methanol Inert atmosphere;	100%
With ammonia In water	81%
With ammonium hydroxide In tetrahydrofuran; water at 0℃; for 2h;
With ammonia; water In tetrahydrofuran

: 959154-72-4
C24H22N2O7

: 1221593-67-4, 1276540-63-6
4-[(S)-2-amino-5-({amino-[(E)-2,2,4,6,7-pentamethyl-2,3-dihydro-benzofuran-5-sulfonylimino]-methyl}-amino)-pentanoyl]-piperazine-1-carboxylic acid tert-butyl ester

: 2592-95-2
benzotriazol-1-ol

: 7693-46-1
4-Nitrophenyl chloroformate

: 1221593-53-8
{(S)-4-({amino-[(E)-2,2,4,6,7-pentam-ethyl-2,3-dihydro-benzofuran-5-sulfonylimino]-methyl}-amino)-1-[2-(hydromorphylcarbonyl-methyl-amino)-ethyl carbamoyl]-butyl}-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
Stage #1: C24H22N2O7 With N-ethyl-N,N-diisopropylamine In chloroform at 20℃; for 1h; Stage #2: 4-Nitrophenyl chloroformate In chloroform at 20℃; for 1h; Stage #3: 4-[(S)-2-amino-5-({amino-[(E)-2,2,4,6,7-pentamethyl-2,3-dihydro-benzofuran-5-sulfonylimino]-methyl}-amino)-pentanoyl]-piperazine-1-carboxylic acid tert-butyl ester; benzotriazol-1-ol In chloroform; N,N-dimethyl-formamide at 20℃; for 18h;	100%

Yield

Stage #1: C24H22N2O7 With N-ethyl-N,N-diisopropylamine In chloroform at 20℃; for 1h;
Stage #2: 4-Nitrophenyl chloroformate In chloroform at 20℃; for 1h;
Stage #3: 4-[(S)-2-amino-5-({amino-[(E)-2,2,4,6,7-pentamethyl-2,3-dihydro-benzofuran-5-sulfonylimino]-methyl}-amino)-pentanoyl]-piperazine-1-carboxylic acid tert-butyl ester; benzotriazol-1-ol In chloroform; N,N-dimethyl-formamide at 20℃; for 18h;

100%

...Expand

: 2592-95-2
benzotriazol-1-ol

: 62244-77-3
1-Hydroxy-1,2,3-benzotriazole potassium salt

Conditions

Conditions	Yield
With potassium hydroxide at 20℃;	100%

: 19780-84-8
5-Hexyn-3-ol

: 2592-95-2
benzotriazol-1-ol

: 1422198-18-2
5-((1H-benzo[d][1,2,3]triazol-1-yl)oxy)hex-5-en-3-ol

Conditions

Conditions	Yield
With (triphenylphosphine)gold(I) chloride; silver trifluoromethanesulfonate In 1,2-dichloro-ethane at 20℃; for 6h; Time; Solvent; regioselective reaction;	100%

: 2592-95-2
benzotriazol-1-ol

: 693-02-7
hex-1-yne

: 1422198-27-3
1-(hex-1-en-2-yloxy)-1H-benzo[d][1,2,3]triazole

Conditions

Conditions	Yield
With (triphenylphosphine)gold(I) chloride; silver trifluoromethanesulfonate In 1,2-dichloro-ethane at 20℃; regioselective reaction;	100%

: 292638-84-7
styrene

: 2592-95-2
benzotriazol-1-ol

: 2-((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)-1-phenylethanone

Conditions

Conditions	Yield
With iron(III) chloride; oxygen In water; acetonitrile at 20℃; for 24h; Green chemistry;	100%
With Selectfluor; pyridinium chlorochromate In acetonitrile at 20℃; for 3h;	70%
With tetrakis(acetonitrile)copper(I) perchlorate; oxygen In acetonitrile for 18h;	52%

: 2592-95-2
benzotriazol-1-ol

: (20S)-6-oxo-5α-pregn-2-ene-20-carboxylic acid

: 1H-benzo[d][1,2,3]triazol-1-yl (20S)-6-oxo-5α-pregn-2-ene-20-carboxylate

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 5h;	100%

: 7206-70-4
4-amino-5-chloro-2-methoxybenzoic acid

: 2592-95-2
benzotriazol-1-ol

: 171351-19-2
1H-1,2,3-benzotriazol-1-yl 4-amino-5-chloro-2-methoxybenzoate

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 3h;	99%
With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 72h; Ambient temperature;	85%

: 2592-95-2
benzotriazol-1-ol

: 124-63-0
methanesulfonyl chloride

: 54769-22-1
1-methanesulfonyloxy-1,2,3-benzotriazole

Conditions

Conditions	Yield
With triethylamine In acetonitrile	99%
With triethylamine In dichloromethane at 0 - 20℃; for 2.5h;	70.2%
With triethylamine In dichloromethane at 0℃; for 2h; Yield given;
With trimethylamine In water; ethyl acetate; benzene
With triethylamine In water; benzene

: 2592-95-2
benzotriazol-1-ol

: 5612-13-5
6-(triphenylmethylamino)hexanoic acid

: 288590-33-0
1,2,3-benzotriazol-1-yl-6 triphenylmethylaminohexyl carboxylate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 3h; Substitution;	99%
With dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 3h;

: 1271-42-7
ferrocenecarboxylic acid

: 5680-80-8
methyl (2S)-2-amino-3-hydroxypropanoate hydrochloride

: 2592-95-2
benzotriazol-1-ol

: 1892-57-5
N-(3-dimethylaminopropyl)-N-ethylcarbodiimide

: Fe(C5H5)(C5H4)CONHCH(CH2OH)COOCH3

Conditions

Conditions	Yield
With CuCl In N,N-dimethyl-formamide	99%

...Expand

: diphenyl(trifluoromethanesulfonato)-λ3-iodane

: 2592-95-2
benzotriazol-1-ol

: 1-phenoxy-1H-benzo[1,2,3]triazole

Conditions

Conditions	Yield
Stage #1: benzotriazol-1-ol With potassium tert-butylate In acetonitrile at 25℃; for 0.0833333h; Schlenk technique; Stage #2: diphenyl(trifluoromethanesulfonato)-λ3-iodane In acetonitrile at 25℃; Reagent/catalyst; Solvent; Temperature; Schlenk technique;	99%

: 405-99-2
para-fluorostyrene

: 2592-95-2
benzotriazol-1-ol

: C14H12FN3O2

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; oxygen In decane; 1,2-dichloro-ethane at 20℃; under 760.051 Torr; for 24h;	99%
With Selectfluor In 1,2-dichloro-ethane at 20℃; for 12h; regioselective reaction;	80%

: 622-97-9
1-ethenyl-4-methylbenzene

: 2592-95-2
benzotriazol-1-ol

: 2-((1H-benzo[d][1,2,3]triazol-1-yl)oxy)-1-(p-tolyl)ethanol

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; oxygen In decane; 1,2-dichloro-ethane at 20℃; under 760.051 Torr; for 17h;	99%
With Selectfluor In 1,2-dichloro-ethane at 20℃; for 12h; regioselective reaction;	86%

: C15H24N14O4

: 2592-95-2
benzotriazol-1-ol

: C21H27N17O4

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane at 23 - 35℃; for 6h;	99%

: C35H56N30O8

: 2592-95-2
benzotriazol-1-ol

: C41H59N33O8

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane at 23 - 35℃; for 6h;	99%

: 2592-95-2
benzotriazol-1-ol

: 106-94-5
propyl bromide

: 60454-98-0
1-propoxy-1H-benzo[d]-1,2,3-triazole

Conditions

Conditions	Yield
Stage #1: benzotriazol-1-ol With potassium carbonate In acetonitrile for 0.5h; Stage #2: propyl bromide In acetonitrile at 20℃;	98.4%

: 2592-95-2
benzotriazol-1-ol

: 766-80-3
1-bromomethyl-3-chlorobenzene

: 1-(3-chlorobenzyloxy)-1H-benzo[d]-1,2,3-triazole

Conditions

Conditions	Yield
Stage #1: benzotriazol-1-ol With potassium carbonate In acetonitrile for 0.5h; Stage #2: 1-bromomethyl-3-chlorobenzene In acetonitrile at 20℃;	98.1%

: 2592-95-2
benzotriazol-1-ol

: (5-{4-[3-(tritylamino)propyloxy]phenyl}-10,15,20-tris(1-methylpyridinium-4-yl))porphyrin triiodide

: (5-{4-[(3-ammoniopropyl)oxy]phenyl}-10,15,20-tris(1-methylpyridinium-4-yl))porphyrin benzotriazolate iodide

Conditions

Conditions	Yield
With 2,2,2-trifluoroethanol for 4h; Ambient temperature;	98%

: 86528-43-0
(1R*,2R*)-2-benzoylcyclohexane-1-carboxylic acid

: 2592-95-2
benzotriazol-1-ol

: 1H-benzotriazol-1-yl trans-2-benzoylcyclohexanecarboxylate

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.666667h;	98%

1-Hydroxybenzotriazole Chemical Properties

Molecule structure of 1-Hydroxybenzotriazole (CAS NO.2592-95-2):

IUPAC Name: 1-Hydroxybenzotriazole
Molecular Weight: 135.1234 g/mol
Molecular Formula: C₆H₅N₃O
Density: 1.51 g/cm³
Melting Point: 156-159 °C
Boiling Point: 344.6 °C at 760 mmHg
Flash Point: 162.2 °C
Index of Refraction: 1.738
Molar Refractivity: 36.01 cm³
Molar Volume: 89.4 cm³
Surface Tension: 66.8 dyne/cm
Enthalpy of Vaporization: 61.18 kJ/mol
Vapour Pressure: 3.28E-05 mmHg at 25 °C
Storage Temp.: store at RT.
Stability: stable, but possible risk of explosion if heated under confinement. flammable.
XLogP3: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Exact Mass: 135.043262
MonoIsotopic Mass: 135.043262
Topological Polar Surface Area: 50.9
Heavy Atom Count: 10
Canonical SMILES: C1=CC=C2C(=C1)N=NN2O
InChI: InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H
InChIKey: ASOKPJOREAFHNY-UHFFFAOYSA-N
EINECS: 219-989-7
Product Categories: Peptide coupling agents; Amino Acid Derivatives; FINE Chemical & INTERMEDIATES; Peptide Coupling Reagents; Peptide; Fused Ring Systems

1-Hydroxybenzotriazole Uses

1-Hydroxybenzotriazole (CAS NO.2592-95-2) is used in organic synthesis. It is also used as a racemization suppressor and to improve yield in peptide synthesis.

1-Hydroxybenzotriazole Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	oral	5gm/kg (5000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 679, 1992.

1-Hydroxybenzotriazole Safety Profile

Hazard Codes: F, Irritant Xi, Toxic T
Risk Statements: 11-5-36/38-36/37/38-36-20/21-61
R11:Highly flammable.
R5 :Heating may cause an explosion.
R36/38:Irritating to eyes and skin.
R36/37/38:Irritating to eyes, respiratory system and skin.
R36:Irritating to eyes.
R20/21:Harmful by inhalation and in contact with skin.
R61:May cause harm to the unborn child.
Safety Statements: 16-33-7/9-26-45-53-15
S16:Keep away from sources of ignition.
S33:Take precautionary measures against static discharges.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place. S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S53:Avoid exposure - obtain special instructions before use.
S15:Keep away from heat.
RIDADR: 1325
RTECS: DM1288000
HazardClass: 4.1
PackingGroup: III

1-Hydroxybenzotriazole Specification

1-Hydroxybenzotriazole (CAS NO.2592-95-2) is also named as 1-Hydroxy-1H-benzotriazole hydrate ; 1-Hydroxybenzotriazole hydrate ; 4-26-00-00095 (Beilstein Handbook Reference) ; BRN 0004515 ; Benzazimidol hydrate ; CCRIS 2605 ; N-Hydroxybenzotriazole hydrate . 1-Hydroxybenzotriazole (CAS NO.2592-95-2) is white to light yellow powder. It reacts with activated acyl groups to form activated molecules that are referred to as activated esters. These esters are insoluble (like the N-hydroxysuccinimide esters) and react with amines at ambient temperature to give amides.

Product Name

1-Hydroxybenzotriazole

Synthetic route

1-Hydroxybenzotriazole Chemical Properties

1-Hydroxybenzotriazole Uses

1-Hydroxybenzotriazole Toxicity Data With Reference

1-Hydroxybenzotriazole Safety Profile

1-Hydroxybenzotriazole Specification

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