Basic information
- CAS
161290-85-3- Standard SMILES
O=C(CCl)Nc1ccc(OC(F)(F)F)cc1- InChIKey
MIWYZHHKNDZBCB-UHFFFAOYSA-N- Molecular formula
- C9H7ClF3NO2
- Average molar mass
- 253.6 g/mol
- Monoisotopic mass
- 253.0117406
Names & identifiers
- Preferred name
- 2-chloro-N-[4-(trifluoromethoxy)phenyl]acetamide
- IUPAC
- 2-chloro-N-[4-(trifluoromethoxy)phenyl]acetamide
- English name
- N-(Chloroacetyl)-4-(trifluoromethoxy)aniline
- Molecular formula
- C9H7ClF3NO2
- Molecular weight
- 253.61
Names & synonyms
161290-85-32-Chloro-N-[4-(trifluoromethoxy)phenyl]acetamide2-Chloro-N-(4-(trifluoromethoxy)phenyl)acetamideDTXSID20344998RefChem:259348DTXCID50296072670-908-5N-(Chloroacetyl)-4-(trifluoromethoxy)anilineMFCD00219796N1-[4-(Trifluoromethoxy)phenyl]-2-chloroacetamideN-(Chloroacetyl)4-(trifluoromethoxy)anilineAcetamide, 2-chloro-N-[4-(trifluoromethoxy)phenyl]-
Show more names
AKOS B020803AKOS USSH-4110481BUTTPARK 30\07-62TIMTEC-BB SBB001832ART-CHEM-BB B020803OTAVA-BB BB7020410090N-(Chloroacetyl)-4-(trifluoromethoxy)N-Chloroacetyl-4-(trifluoromethoxy)aniline97%N-Chloroacetyl-4-(trifluoromethoxy)aniline 97%
SCHEMBL1945608JS-027CSBB001832STK299306AKOS000103075NCGC00660989-01DB-004987ST4057446
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 135 · 135-136°C
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 161290 · 161290-85-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 22 · 22-26-36
- HazardClass
- IRRITANT
- HS Code
- 2921420090 · 2921420090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2921420090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-26-36
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers37 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海莉凯化工技术有限公司16628776521 · [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]
T&W GROUP021-61551611 13296011611 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
赛默飞世尔科技（中国）有限公司
Related reactions
2 records
Compound notes
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