CAS 133220-86-7 2-Chloro-4-fluorocinnamic acid (HCID 6257297)

기본 정보

CAS: 133220-86-7
표준 SMILES: O=C(O)/C=C/c1ccc(F)cc1Cl
InChIKey: RJCWBTRMWGOREZ-UHFFFAOYSA-N
분자식: C9H6ClFO2
평균 분자량: 200.59 g/mol

이름 및 식별자

우선 이름: 2-Chloro-4-fluorocinnamic acid
IUPAC: (E)-3-(2-chloro-4-fluorophenyl)prop-2-enoic acid
영어명: 2-Chloro-4-fluorocinnamic acid
분자식: C9H6ClFO2
분자량: 200.59

이름 및 동의어

2-Chloro-4-fluorocinnamic acid133220-86-7174603-37-3(E)-3-(2-chloro-4-fluorophenyl)acrylic acid3-(2-CHLORO-4-FLUOROPHENYL)-2-PROPENOIC ACID(E)-3-(2-chloro-4-fluorophenyl)prop-2-enoic acid(2E)-3-(2-chloro-4-fluorophenyl)prop-2-enoic acid3-(2-chloro-4-fluorophenyl)prop-2-enoic acidMFCD002360272-Propenoic acid, 3-(2-chloro-4-fluorophenyl)-2-Propenoic acid, 3-(2-chloro-4-fluorophenyl)-, (2E)-SCHEMBL1167315

이름 더 보기

TIMTEC-BB SBB003541RARECHEM BK HW 00633-Chloro-5-Fluorobenzoic2-Chloro-4-fluorocinnamic2-Chloro-4-fluorocinnamicacid98%2-Chloro-4-fluorocinnamic acid 98%2-CHLORO-4-FLUOROCINNAMIC ACID, 99+%2-CHLORO-4-FLUOROCINNAMIC ACID USP/EP/BP

SCHEMBL5842973SCHEMBL30632999RJCWBTRMWGOREZ-DUXPYHPUSA-NSBB003541AKOS015889749AKOS025310213FC70096AS-66903

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 218

물리화학적 성질

녹는점: 245 · 245-247 °C
끓는 점: 312.813 · 312.813±27.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.3522 · 1.3522 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 4.257 · 4.257±0.13(predicted)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.