3-Bromo-3-buten-1-ol

HCID 533975

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Basic information

CAS: 76334-36-6
Standard SMILES: C=C(Br)CCO
InChIKey: RTKMFQOHBDVEBC-UHFFFAOYSA-N
Molecular formula: C4H7BrO
Average molar mass: 151.003 g/mol
Monoisotopic mass: 149.96802694

Names & identifiers

Preferred name: 3-Bromo-3-buten-1-ol
IUPAC: 3-Bromobut-3-en-1-ol
English name: 3-Bromo-3-buten-1-ol
Molecular formula: C4H7BrO
Molecular weight: 151

Names & synonyms

3-broMobut-3-en-1-ol3-Bromo-3-butenol3-BROMO-3-BUTEN-1-OL3-BROMO-2-BUTEN-1-OL3-Buten-1-ol, 3-bromo-3-bromo-3-butenealcohol3-Bromo-3-buten-1-ol, 97+%3-BroMo-3-buten-1-ol, 97+% 10GR3-BroMo-3-buten-1-ol, 97%, stab. with copper3-Bromo-3-buten-1-ol, stabilized with copper

Database identifiers

CAS: 76334-36-6
PubChem CID: 533975
DTXSID: DTXSID00336472
UNII: T4HW642ALH
EC Number: 627-762-2
Nikkaji: J823.584H

Properties

Physicochemical properties

Boiling point: 64 · 64-65 °C9 mm Hg(lit.)
Density: 1.522 g/mL · 1.522 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.499(lit.)
Flash point: 230 °F · >230 °F
storage temp.: -20 °C, · -20°C, stored under nitrogen
form: liquid (clear)
pka: 14.86 · 14.86±0.10(Predicted)
color: clear brown
Sensitive: Light Sensitive
BRN: 1737671 · 1737671
InChI: InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2
InChIKey: RTKMFQOHBDVEBC-UHFFFAOYSA-N
SMILES: C(O)CC(Br)=C
FDA UNII: 4 HW642ALH · T4HW642ALH
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H317-H318
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 22 · 22-41-43
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
HS Code: 29055900 · 29055900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Sens. 1

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29055900
risk_code: 22-41-43
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn
safety_code: 26-36/37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H317-H318
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Sens. 1
Precautionary statements: P261-P264-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses3-Bromo-3-buten-1-ol is useful building block in the synthesis of α-methylene lactones,1 tricyclic sesquiterpenes,2,3 and a number of other cyclization4 and alkylation reactions.

General Description3-Bromo-3-buten-1-ol is a primary alcohol. Acetylation of 3-bromo-3-buten-1-ol with acetic acid catalyzed by ytterbium(III) tosylate has been studied.