Product Name

  • Name

    2,3-Dibromo-1,4-butanediol

  • EINECS 217-750-1
  • CAS No. 1947-58-6
  • Article Data9
  • CAS DataBase
  • Density 2.124 g/cm3
  • Solubility
  • Melting Point 88-90 °C
  • Formula C4H8Br2O2
  • Boiling Point 315.4 °C at 760 mmHg
  • Molecular Weight 247.914
  • Flash Point 156.6 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 1947-58-6 (2,3-Dibromo-1,4-butanediol)
  • Hazard Symbols IrritantXi
  • Synonyms 1,4-Butanediol,2,3-dibromo-, (R*,R*)- (9CI);2,3-Dibromo-2,3-dideoxy-dl-threitol;rac-2,3-Dibromobutane-1,4-diol;
  • PSA 40.46000
  • LogP 0.49800

Synthetic route

1,4-butenediol
6117-80-2

1,4-butenediol

dl-2,3-dibromo-1,4-butanediol
1947-58-6

dl-2,3-dibromo-1,4-butanediol

Conditions
ConditionsYield
With 1,1'-(ethane-1,2-diyl)dipyridinium bistribromide at 20℃; for 0.416667h;91%
With diethyl ether; bromine
With dichloromethane; bromine
With hydrogen bromide; bromine
With bromine In dichloromethane Irradiation;
(5S,6S)-5,6-Dibromo-2,2-dimethyl-[1,3]dioxepane

(5S,6S)-5,6-Dibromo-2,2-dimethyl-[1,3]dioxepane

dl-2,3-dibromo-1,4-butanediol
1947-58-6

dl-2,3-dibromo-1,4-butanediol

Conditions
ConditionsYield
With sodium benzenesulfonate In N,N-dimethyl-formamide at 60℃; for 3h;90%
(+-)-5r,6t-dibromo-<1,3>dioxepane

(+-)-5r,6t-dibromo-<1,3>dioxepane

dl-2,3-dibromo-1,4-butanediol
1947-58-6

dl-2,3-dibromo-1,4-butanediol

Conditions
ConditionsYield
With hydrogenchloride; methanol
1,4-butenediol
6117-80-2

1,4-butenediol

bromine
7726-95-6

bromine

dl-2,3-dibromo-1,4-butanediol
1947-58-6

dl-2,3-dibromo-1,4-butanediol

3,4-dihydro-2H-pyran
110-87-2

3,4-dihydro-2H-pyran

dl-2,3-dibromo-1,4-butanediol
1947-58-6

dl-2,3-dibromo-1,4-butanediol

treo-2,3-dibromo-1,4-tetrahydropyranyloxybutane

treo-2,3-dibromo-1,4-tetrahydropyranyloxybutane

Conditions
ConditionsYield
With hydrogen cation100%
dl-2,3-dibromo-1,4-butanediol
1947-58-6

dl-2,3-dibromo-1,4-butanediol

sodium thiophenolate
930-69-8

sodium thiophenolate

racem.-2,3-bis-phenylsulfanyl-butane-1,4-diol
101431-43-0

racem.-2,3-bis-phenylsulfanyl-butane-1,4-diol

dl-2,3-dibromo-1,4-butanediol
1947-58-6

dl-2,3-dibromo-1,4-butanediol

racem.-2,3-dibromo-1,4-bis-nitryloxy-butane
89033-75-0

racem.-2,3-dibromo-1,4-bis-nitryloxy-butane

Conditions
ConditionsYield
With sulfuric acid; nitric acid at -20℃;
dl-2,3-dibromo-1,4-butanediol
1947-58-6

dl-2,3-dibromo-1,4-butanediol

rac-1,2,3,4-diepoxybutane
1464-53-5

rac-1,2,3,4-diepoxybutane

Conditions
ConditionsYield
With potassium hydroxide
dl-2,3-dibromo-1,4-butanediol
1947-58-6

dl-2,3-dibromo-1,4-butanediol

aniline
62-53-3

aniline

racem.-2,3-dianilino-butane-1,4-diol

racem.-2,3-dianilino-butane-1,4-diol

succinic acid anhydride
108-30-5

succinic acid anhydride

dl-2,3-dibromo-1,4-butanediol
1947-58-6

dl-2,3-dibromo-1,4-butanediol

succinic acid 1,1'-((RS,RS)-2,3-dibromo-butane-1,4-diyl) ester
107927-78-6, 124320-06-5

succinic acid 1,1'-((RS,RS)-2,3-dibromo-butane-1,4-diyl) ester

Conditions
ConditionsYield
With pyridine
dl-2,3-dibromo-1,4-butanediol
1947-58-6

dl-2,3-dibromo-1,4-butanediol

A

1,4-butenediol
6117-80-2

1,4-butenediol

B

(E)-2-butene-1,4-diol
821-11-4

(E)-2-butene-1,4-diol

Conditions
ConditionsYield
With samarium In methanol for 1h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

2,3-Dibromo-1,4-butanediol Specification

The 2,3-Dibromo-1,4-butanediol is an organic compound with the formula C4H8Br2O2. The IUPAC name of this chemical is 2,3-dibromobutane-1,4-diol. With the CAS registry number 1947-58-6 and EINECS 217-750-1, it is also named as 1,4-Butanediol, 2,3-dibromo-, (+,-)-. The product's categories are Alcohols; Monomers; Polymer Science; Organic Building Blocks; Oxygen Compounds; Polyols. 

The other characteristics of 2,3-Dibromo-1,4-butanediol can be summarized as: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.25; (8)ACD/KOC (pH 7.4): 32.25; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 39.03 cm3; (14)Molar Volume: 116.6 cm3; (15)Polarizability: 15.47×10-24 cm3; (16)Surface Tension: 59.2 dyne/cm; (17)Enthalpy of Vaporization: 64.54 kJ/mol; (18)Vapour Pressure: 3.73E-05 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 247.887058; (21)MonoIsotopic Mass: 245.889105; (22)Topological Polar Surface Area: 40.5; (23)Heavy Atom Count: 8; (24)Complexity: 52.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:BrC(CO)C(Br)CO
2. InChI:InChI=1/C4H8Br2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2
3. InChIKey:OXYNQEOLHRWEPE-UHFFFAOYAP
4. Std. InChI:InChI=1S/C4H8Br2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2
5. Std. InChIKey:OXYNQEOLHRWEPE-UHFFFAOYSA-N

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2460mg/kg (2460mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.

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