N-(2-chloro-4-(trifluoromethyl)phenyl)acetamide

HCID 2736671

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Basic information

CAS: 247170-19-0
Standard SMILES: CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIKey: QRMZQPODCUCPQD-UHFFFAOYSA-N
Molecular formula: C9H7ClF3NO
Average molar mass: 237.6 g/mol
Monoisotopic mass: 237.016826

Names & identifiers

Preferred name: N-(2-chloro-4-(trifluoromethyl)phenyl)acetamide
IUPAC: N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
English name: 2-Chloro-4-(trifluoromethyl)acetanilide
Molecular formula: C9H7ClF3NO
Molecular weight: 237.61

Names & synonyms

247170-19-0N-[2-chloro-4-(trifluoromethyl)phenyl]acetamideN-(2-Chloro-4-(trifluoromethyl)phenyl)acetamideDTXSID70371517RefChem:1090982DTXCID403225512-Chloro-4-(trifluoromethyl)acetanilide2'-Chloro-4'-(trifluoromethyl)acetanilideMFCD01313231Acetamide, N-[2-chloro-4-(trifluoromethyl)phenyl]-HMS563K092-Chloro-4-(trifluoromethyl)acetamilide

Show more names

SKL8412-Chloro-4-trifluoromethylphenylacetamide2′-Chloro-4′-(trifluoromethyl)acetanilide, CAS 247170-19-0

Maybridge1_007797MLS000860199CHEMBL1870908SCHEMBL22057590SCHEMBL31090296QRMZQPODCUCPQD-UHFFFAOYSA-NHMS2794F04CCG-45940

Database identifiers

CAS: 247170-19-0
PubChem CID: 2736671
DTXSID: DTXSID70371517
ChEMBL: CHEMBL1870908
EC Number: 681-872-5

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 244

Experimental & physicochemical properties

Solubility23.1 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 131 °C · 131 °C
Boiling point: 306.5 · 306.5±42.0 °C(Predicted)
Density: 1.414 · 1.414±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 13.47 · 13.47±0.70(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 247170 · 247170-19-0(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2924297099 · 2924297099

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

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 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 (20%)

Safety data

hs_code: 2924297099
risk_code: 36/37/38-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Suppliers43 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海策嵘生物科技有限公司[email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

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

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

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Compound notes

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