2-Butanone, 3-bromo- (HCID 13142)

Names & identifiers

Preferred name: 2-Butanone, 3-bromo-
IUPAC: 3-bromobutan-2-one
English name: 3-Bromo-2-butanone
Molecular formula: C4H7BrO
Molecular weight: 151

Names & synonyms

3-BROMO-2-BUTANONE814-75-52-Butanone, 3-bromo-EINECS 212-404-6DTXSID50883587RefChem:85931DTXCID101023101BNBOUFHCTIFWHN-UHFFFAOYSA-N3-Bromobutan-2-one3-bromo-2-butanonMFCD000135383-bromo-butan-2-one

Show more names

2-Bromobutan-2-one3-Bromobutane-2-one(3S)-3-bromo-2-butanone1-bromoethylmethylketone

2-bromo-3-butanone3-bromobutanone3-Bromobut-2-one3-bromo-butan-2-on3-Bromo-2-butanone, 97%SCHEMBL215646AAA81475AKOS015841107

Database identifiers

CAS: 814-75-5
PubChem CID: 13142
DTXSID: DTXSID50883587
EC Number: 212-404-6
Nikkaji: J193.200D

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 60.6

Physicochemical properties

Boiling point: 36 °C · 36 °C (11 mmHg)
Density: 1.416 g/mL · 1.416 g/mL at 25 °C
refractive index: 1.458 · 1.458-1.46
Flash point: 100 °C · >100°C
storage temp.: 2 · Storage temp. 2-8°C
solubility: Miscible with dichloromethane.
form: Liquid
color: Clear light yellow to brown
BRN: 906773 · 906773
InChI: InChI=1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3
InChIKey: BNBOUFHCTIFWHN-UHFFFAOYSA-N
SMILES: CC(=O)C(Br)C
CAS DataBase Reference: 814 · 814-75-5(CAS DataBase Reference)
EPA Substance Registry System: 2 · 2-Butanone, 3-bromo- (814-75-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Danger
Hazard statements: 226 · H226-H302+H312-H314
Precautionary statements: 210 · P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,C
Risk Statements: 36 · 36/37/38-20/21/22-34-21/24-21/22
Safety Statements: 36 · 36/37/39-26-45
RIDADR: 1224 · 1224
WGK Germany: 2 · 2
RTECS: 7005000 · EL7005000
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29147000 · 29147000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (91.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (91.1%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
rtecs: EL7005000
ridadr: 1224
hs_code: 29147000
risk_code: 36/37/38-20/21/22-34-21/24-21/22
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
hazard_code: Xn,C
safety_code: 36/37/39-26-45
hazard_class: 8
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226-H302+H312-H314
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
Precautionary statements: P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Butanone, 3-bromo-: INACTIVE

Applications

Uses3-Bromo-2-butanone is involved in the preparation of o-isopropyl S-3-oxobutan-2-yl dithiocarbonate by reaction with potassium o-isopropylxanthate, which on treatment with sulfuric acid gives 4,5-dimethyl-1,3-dithiol-2-one .