Bromoacetyl chloride (HCID 89602)

Names & identifiers

Preferred name: Bromoacetyl chloride
IUPAC: 2-bromoacetyl chloride
English name: Bromoacetyl chloride
Molecular formula: C2H2BrClO
Molecular weight: 157.39

Names & synonyms

Bromoacetyl chloride22118-09-8Acetyl chloride, bromo-DTXSID80176636EINECS 244-790-7NSC 97376RefChem:570323DTXCID3099127244-790-72-bromoacetyl chloridebromoacetylchlorideC2H2BrClO

Show more names

JACS-22118-09-8Bromoacetyl Chloride >2-bromoethanoyl chlorideAcetyl chloride, 2-bromo-Bromoacetic acid chloridemonobromo acetyl chloridemonobromoacetic acid chlorideBroMoacetyl chloride >=95% (GC)

MFCD00000724bromo-acetyl chloridebromacetylchioridebromacetylchloridebromoacetylchioridebromacetyl chloridebromo-acetylchloride2-bromoacetylchloride

Database identifiers

CAS: 22118-09-8
PubChem CID: 89602
DTXSID: DTXSID80176636
EC Number: 244-790-7
Nikkaji: J149.670K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 44.9

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Boiling point: 127 · 127-128 °C (lit.)
Density: 1.89 g/mL · 1.89 g/mL at 20 °C
refractive index: 20 · n20/D 1.495
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear yellow to brown
BRN: 1209323 · 1209323
InChI: InChI=1S/C2H2BrClO/c3-1-2(4)5/h1H2
InChIKey: SYZRZLUNWVNNNV-UHFFFAOYSA-N
SMILES: C(Cl)(CBr)=O
CAS DataBase Reference: 22118 · 22118-09-8(CAS DataBase Reference)
NIST Chemistry Reference: Bromoacetyl chloride(22118-09-8)
UNSPSC Code: 12352100 · 12352100
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: 10 · 10-21
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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationAcetyl chloride, bromo-: Does not have an individual approval but may be used under an appropriate group standard

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

Safety data

F: 10-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
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

Applications

UsesBromoacetyl chloride was used in the synthesis of α,α-disubstituted thioisomünchnones. It was also used in the preparation of 1,3-dibromoacetone.

General DescriptionThe competitive photodissociation of bromoacetyl chloride has been studied by ab initio methods.

Upstream & downstream products

Upstream raw materials

Bromoacetic acid Thionyl chloride

Downstream products

4-Chloro-2'-bromoacetophenone METHYL 3-[(2-BROMOACETYL)AMINO]THIOPHENE-2-CARBOXYLATE N,N-dibutyl-2-chloro-Acetamide 5-Bromoacetyl-2-hydroxybenzaldehyde 2-broMo-N-Methyl-N-(4-nitrophenyl)acetaMide 2,5-Dimethylphenylacetyl chloride Benzaldehyde, 5-(chloroacetyl)-2-hydroxy- (9CI)2-bromo-N,N-diethyl-acetamide 2-Ethoxybenzamide N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-methylacetamide N-(1-benzylpiperidin-4-yl)-2-bromoacetamide(SALTDATA: 0.35HCl)2-BROMO-N-CYCLOPENTYLACETAMIDE

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

268 records

New reaction record

HRID 5830As reactantuspto-grants-1993_09

HRID 16346As reactantuspto-grants-2010_06

HRID 21953As reactantuspto-grants-1995_06

HRID 36564As reactantuspto-grants-1995_05

HRID 36565As reactantuspto-grants-1995_05

HRID 93317As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 96964As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 99058As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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Basic information