3-(2,4-Difluorophenyl)acrylic Acid

HCID 603502CAS 774-73-2

기본 정보

표준 SMILES: O=C(O)C=Cc1ccc(F)cc1F
InChIKey: PQDXPFJQTKGTFP-UHFFFAOYSA-N
분자식: C9H6F2O2
평균 분자량: 184.14 g/mol

이름 및 식별자

우선 이름: 3-(2,4-Difluorophenyl)acrylic Acid
IUPAC: 3-(2,4-difluorophenyl)prop-2-enoic acid

이름 및 동의어

774-73-23-(2,4-Difluorophenyl)acrylic Acidtrans-2,4-Difluorocinnamic acid2,4-Difluorocinnamicacid2,4-difluoro-cinnamic acid2-Propenoic acid, 3-(2,4-difluorophenyl)-2,4-DifluorocinnamicSCHEMBL716630SCHEMBL29407005PQDXPFJQTKGTFP-UHFFFAOYSA-NXH10383-(2,4-difluoro-phenyl)-acrylic acid

이름 더 보기

3-(2,4-difluorophenyl)-2-propenoic acidDB-019940(2E)-3-(2,4-Difluorophenyl)-2-propenoic acid(2E)-3-(2,4-Difluorophenyl)prop-2-enoic acid, (E)-3-(2,4-Difluorophenyl)acrylic acid3-(2,4-Difluorophenyl)prop-2-enoic acid, 3-(2,4-Difluorophenyl)acrylic acid

데이터베이스 식별자

CAS: 774-73-2
PubChem CID: 603502
EC Number: 670-869-4

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 216

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.