3,4-디클로로신남산

3,4-Dichlorocinnamic acid

HCID 688027CAS 1202-39-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)/C=C/c1ccc(Cl)c(Cl)c1
InChIKey: RRLUFPHCTSFKNR-DUXPYHPUSA-N
분자식: C9H6Cl2O2
평균 분자량: 217.05 g/mol

이름 및 식별자

우선 이름: 3,4-Dichlorocinnamic acid
IUPAC: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid
현지명: 3,4-디클로로신남산
영어명: 3,4-Dichlorocinnamic acid
분자식: C9H6Cl2O2
분자량: 217.05

이름 및 동의어

3,4-DICHLOROCINNAMIC ACID1202-39-77312-27-82-Propenoic acid, 3-(3,4-dichlorophenyl)-Cinnamic acid, 3,4-dichloro-3',4'-Dichlorocinnamic acid(2E)-3-(3,4-dichlorophenyl)prop-2-enoic acidBRN 1872129EINECS 214-866-4480625A7SYNSC 5188003-(3,4-Dichlorophenyl)-2-propenoic acid

이름 더 보기

3,4-디클로로신남산trans-3,4-Dichlorocinnamic acid3,4-Dichloro-trans-cinnamic acid(e)-3-(3,4-dichlorophenyl)propyleneacid(E)-3-(3,4-Dichlorophenyl)propenoic acid(2E)-3-(3,4-Dichlorophenyl)-2-propenoic acid(2E)-3-(3,4-Dichlorophenyl)-2-propenoic acid - [C88895]

NSC-518800DTXSID101311887RefChem:485981DTXCID001741702Cinnamic acid, 3,4-dichloro-(8CI)214-866-4872-075-5(E)-3-(3,4-Dichlorophenyl)acrylic acid

데이터베이스 식별자

CAS: 1202-39-7、7312-27-8
PubChem CID: 688027
ChEMBL: CHEMBL5416433
UNII: 480625A7SY
EC Number: 214-866-4、872-075-5
Nikkaji: J80.092I、J81.362A

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 216

물리화학적 성질

녹는점: 218 °C · 218 °C
끓는 점: 366.6 · 366.6±32.0 °C(Predicted)
밀도: 1.457 · 1.457±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.18 · 4.18±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]