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2-Chloro-N-(3-(trifluoromethyl)phenyl)acetamide

HCID 736744
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
351-38-2
Standard SMILES
O=C(CCl)Nc1cccc(C(F)(F)F)c1
InChIKey
MOEJRZLPQODXGM-UHFFFAOYSA-N
Molecular formula
C9H7ClF3NO
Average molar mass
237.6 g/mol
Monoisotopic mass
237.016826

Names & identifiers

Preferred name
2-Chloro-N-(3-(trifluoromethyl)phenyl)acetamide
IUPAC
2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide
English name
N-(CHLOROACETYL)-3-(TRIFLUOROMETHYL)ANILINE
Molecular formula
C9H7ClF3NO
Molecular weight
237.61

Names & synonyms

351-38-22-chloro-N-[3-(trifluoromethyl)phenyl]acetamide2-chloro-n-(3-(trifluoromethyl)phenyl)acetamideDTXSID10353094RefChem:259315DTXCID60304157N-(Chloroacetyl)-3-(trifluoromethyl)anilineMFCD00084932Acetamide, 2-chloro-N-[3-(trifluoromethyl)phenyl]-n-chloroacetyl-3-(trifluoromethyl)anilinen1-[3-(trifluoromethyl)phenyl]-2-chloroacetamide2-Chloro-N-(3-trifluoromethyl-phenyl)-acetamide
Show more names
AKOS B015650ASISCHEM P35096AKOS BBS-00000908AKOS USSH-4110466BUTTPARK 30\07-60TIMTEC-BB SBB003231ART-CHEM-BB B015650N-(Chloroacetyl)-3-(trifluoromethyl)2-Chloro-m-trifluoromethylacetanilide2-CHLORO-3'-(TRIFLUOROMETHYL)ACETANILIDE
SCHEMBL965028CHEMBL5429407SCHEMBL38667285JS-104CALBB-002281SBB003231STK353592AKOS000265896

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
232

Physicochemical properties

Melting point
62 · 62,5-64°C
Boiling point
326.4 · 326.4±42.0 °C(Predicted)
Density
1.419 · 1.419±0.06 g/cm3(Predicted)
pka
12.35 · 12.35±0.70(Predicted)
form
crystals
color
Off-white
CAS DataBase Reference
351 · 351-38-2(CAS DataBase Reference)
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
302 · H302-H314
Precautionary statements
280 · P280-P301+P330+P331-P310-P305+P351+P338
Hazard Codes
Xi
Risk Statements
20 · 20/21/22-36/37/38
Safety Statements
23 · 23-36/37/39
HazardClass
IRRITANT
HS Code
2922290090 · 2922290090

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 · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (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.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

hs_code
2922290090
risk_code
20/21/22-36/37/38
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
Xi
safety_code
23-36/37/39
hazard_class
IRRITANT
Hazard statements
H302-H314
Precautionary statements
P280-P301+P330+P331-P310-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

3-AminobenzotrifluorideChloroacetyl chloride

Downstream products

2-amino-N-[3-(trifluoromethyl)phenyl]acetamide

Suppliers38 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [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]
山东李比希生物医药科技有限公司

Related reactions

5 records
New reaction record
HRID 1160097 reaction equation
HRID 1160097As reactantuspto-grants-2010_10
HRID 1160116 reaction equation
HRID 1160116As reactantuspto-grants-2010_10
HRID 1560769 reaction equation
HRID 1560769As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1694658 reaction equation
HRID 1694658As reactantuspto-grants-2012_04
HRID 2401283 reaction equation
HRID 2401283As reactantuspto-grants-2014_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
351-38-2
PubChem CID
736744
DTXSID
DTXSID10353094
ChEMBL
CHEMBL5429407
EC Number
661-377-0
15318973357; 15318973357 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
天津安浩生物科技有限公司[email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
苏州筑研客生物医药有限公司15190025787 18550797660 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [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]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]