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2-Bromophenylacetyl chloride

HCID 4138386
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
55116-09-1
Standard SMILES
O=C(Cl)Cc1ccccc1Br
InChIKey
RFPBUXOVSZEMSW-UHFFFAOYSA-N
Molecular formula
C8H6BrClO
Average molar mass
233.49 g/mol
Monoisotopic mass
231.92906

Names & identifiers

Preferred name
2-Bromophenylacetyl chloride
IUPAC
2-(2-bromophenyl)acetyl chloride
English name
2-BROMOPHENYLACETYL CHLORIDE
Molecular formula
C8H6BrClO
Molecular weight
233.49

Names & synonyms

2-Bromophenylacetyl chloride55116-09-1DTXSID00399784RefChem:257697DTXCID30350641628-347-92-(2-bromophenyl)acetyl Chloride2-bromophenylacetylchloride2-Bromobenzeneacetyl chloride(2-bromophenyl)acetyl chlorideo-Bromophenylacetyl chlorideo-bromphenylacetyl chloride
Show more names
Benzeneacetyl chloride, 2-bromo-2-Bromophenylacetyl chloride ,95%
2-bromophenylacetyl-chloride2-bromophenyl-acetyl chlorideSCHEMBL310967SCHEMBL31291159RFPBUXOVSZEMSW-UHFFFAOYSA-N2-Bromophenylacetyl chloride, 98%MFCD01863517AKOS000280365

Database identifiers

CAS
55116-09-1
PubChem CID
4138386
DTXSID
DTXSID00399784
EC Number
628-347-9
Nikkaji
J28.757A

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
149

Physicochemical properties

Boiling point
186 °C · 186 °C(lit.)
Density
1.57 g/mL · 1.57 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.573(lit.)
Flash point
230 °F · >230 °F
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
WGK Germany
3 · 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

Safety data

wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

METHYL 2-(2-BROMOPHENYL)ACETATE

Suppliers24 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]

Related reactions

24 records
New reaction record
HRID 232346 reaction equation
HRID 232346As reactantuspto-grants-1989_07
HRID 232355 reaction equation
HRID 232355As reactantuspto-grants-1989_07
HRID 232367 reaction equation
HRID 232367As reactantuspto-grants-1989_07
HRID 266171 reaction equation
HRID 266171As reactantuspto-grants-1997_07
HRID 277051 reaction equation
HRID 277051As reactantuspto-grants-2002_03
HRID 289786 reaction equation
HRID 289786As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 418394 reaction equation
HRID 418394As reactantuspto-grants-2012_01
HRID 728074 reaction equation
HRID 728074As reactantuspto-grants-1991_09
Page 1 of 3

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
常州优瑞医药科技有限公司18168818882 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
苏州道澜生物医药科技有限公司13771737464 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]