CAS 927-58-2 4-Bromobutyryl chloride (HCID 70225)

Names & identifiers

Preferred name: 4-Bromobutyryl chloride
IUPAC: 4-bromobutanoyl chloride
English name: 4-BROMOBUTYRYL CHLORIDE
Molecular formula: C4H6BrClO
Molecular weight: 185.45

Names & synonyms

4-Bromobutyryl chloride4-Bromobutanoyl chlorideButanoyl chloride, 4-bromo-Butyryl chloride, 4-bromo-EINECS 213-154-0.gamma.-Bromobutyryl chloride898F737ARM.gamma.-Bromobutyroyl chlorideDTXSID0061296gamma-Bromobutyryl chloridegamma-Bromobutyroyl chlorideRefChem:98190

Show more names

JACS-927-58-24-BrombutyrylchloridBepotastine Impurity 84-bromo-butanoylchloridG-BROMOBUTYROYL CHLORIDE4-Bromobutyrylchloride,97%4-BroMobutyryl chloride 95%

DTXCID8048810213-154-0LRTRXDSAJLSRTG-UHFFFAOYSA-N927-58-2MFCD000007534-bromobutyrylchloride4-Bromobutryl chlorideSCHEMBL94398

Database identifiers

CAS: 927-58-2
PubChem CID: 70225
DTXSID: DTXSID0061296
UNII: 898F737ARM
EC Number: 213-154-0
Nikkaji: J298.498I

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 64.7

Physicochemical properties

Boiling point: 101 °C37 · 101 °C37 mm Hg(lit.)
Density: 1.6 g/mL · 1.60 g/mL at 20 °C
refractive index: 20 · n20/D 1.492(lit.)
Flash point: 91 °C · 91 °C
storage temp.: Inert atmosphere,Room Temperature
form: Liquid
color: Clear colorless to slightly yellow or light pink
Water Solubility: Miscible with organic solvents. Immiscible with water.
Sensitive: Moisture Sensitive
BRN: 1743026 · 1743026
InChI: InChI=1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2
InChIKey: LRTRXDSAJLSRTG-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CCCBr
CAS DataBase Reference: 927 · 927-58-2(CAS DataBase Reference)
FDA UNII: 898 F737ARM · 898F737ARM
NIST Chemistry Reference: 4 · Butanoyl chloride, 4-bromo-(927-58-2)
EPA Substance Registry System: 4 · Butanoyl chloride, 4-bromo- (927-58-2)
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 14 · 14-34-37
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 3 · 3-8-10
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29159000 · 29159000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 BSTOT · Skin Corr. 1BSTOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F: 3-8-10
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 14-34-37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H314-H335
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButanoyl chloride, 4-bromo-: ACTIVE

Applications

Uses4-Bromobutyryl chloride is used as a precursor for the synthesis of carolic acid by reacting with ethoxymagnesiomalonic ester. It is widely utilized as an intermediate in organic synthesis and pharmaceuticals.