2-Chloro-4-fluorocinnamic acid (HCID 6257297)

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Basic information

Standard SMILES: O=C(O)/C=C/c1ccc(F)cc1Cl
InChIKey: RJCWBTRMWGOREZ-UHFFFAOYSA-N
Molecular formula: C9H6ClFO2
Average molar mass: 200.59 g/mol

Names & identifiers

Preferred name: 2-Chloro-4-fluorocinnamic acid
English name: 2-Chloro-4-fluorocinnamic acid
Molecular formula: C9H6ClFO2
Molecular weight: 200.59

Names & synonyms

TIMTEC-BB SBB003541RARECHEM BK HW 00633-Chloro-5-Fluorobenzoic2-Chloro-4-fluorocinnamic2-Chloro-4-fluorocinnamic acid2-Chloro-4-fluorocinnamicacid98%2-Chloro-4-fluorocinnamic acid 98%2-CHLORO-4-FLUOROCINNAMIC ACID, 99+%2-CHLORO-4-FLUOROCINNAMIC ACID USP/EP/BP2-Propenoic acid, 3-(2-chloro-4-fluorophenyl)-

Database identifiers

CAS: 133220-86-7
PubChem CID: 6257297
EC Number: 681-104-9

Properties

Physicochemical properties

Melting point: 245 · 245-247 °C
Boiling point: 312.813 · 312.813±27.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.3522 · 1.3522 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 4.257 · 4.257±0.13(predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 133220 · 133220-86-7(CAS DataBase Reference)
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
Safety Statements: 37 · 37/39-26
Hazard Note: Harmful
HS Code: 2916399090 · 2916399090