(E)-o-클로로신남산

2-Chlorocinnamic acid

HCID 700642

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3752-25-8
표준 SMILES: O=C(O)/C=C/c1ccccc1Cl
InChIKey: KJRRTHHNKJBVBO-AATRIKPKSA-N
분자식: C9H7ClO2
평균 분자량: 182.6 g/mol
단동위원소 질량: 182.0134572

이름 및 식별자

우선 이름: 2-Chlorocinnamic acid
IUPAC: (E)-3-(2-chlorophenyl)prop-2-enoic acid
현지명: (E)-o-클로로신남산
영어명: (E)-o-chlorocinnamic acid
분자식: C9H7ClO2
분자량: 182.6

이름 및 동의어

2-Chlorocinnamic acid3752-25-8o-Chlorocinnamic acidCINNAMIC ACID, o-CHLORO-2-Propenoic acid, 3-(2-chlorophenyl)-3-(2-Chlorophenyl)-2-propenoic acidNSC-4792NSC-52173trans-2-chlorocinnamic acidLT5X82W7YRDTXSID001035212RefChem:470401

이름 더 보기

(E)-o-클로로신남산Einecs 213-363-7(E)-o-chlorocinnamic acid2-Chloro-trans-cinnamic acid2-Propenoic acid, 3-(2-chlorophenyl)-, (2E)-

DTXCID101519841223-154-2(E)-3-(2-Chlorophenyl)acrylic acid939-58-2(E)-3-(2-chlorophenyl)prop-2-enoic acid3-(2-chlorophenyl)acrylic acid(2E)-3-(2-Chlorophenyl)-2-propenoic acid(2E)-3-(2-chlorophenyl)prop-2-enoic acid

데이터베이스 식별자

CAS: 3752-25-8、4513-41-1、939-58-2
PubChem CID: 700642
DTXSID: DTXSID301035497
UNII: LT5X82W7YR
EC Number: 213-363-7、223-154-2
Nikkaji: J135.661E、J75.237A

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 189

물리화학적 성질

녹는점: 212 °C · 212°C
끓는 점: 260.71 °C · 260.71°C (rough estimate)
밀도: 1.2377 · 1.2377 (rough estimate)
굴절률: 1.5426 · 1.5426 (estimate)
저장 조건: Store at room temperature
산도 계수 (pKa): 4.29 · 4.29±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (83%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.