3,4-디클로로페닐라세틸렌

3,4-Dichlorophenylacetylene

HCID 44119622

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 556112-20-0
표준 SMILES: C#Cc1ccc(Cl)c(Cl)c1
InChIKey: MJHFEHXRVNTQIL-UHFFFAOYSA-N
분자식: C8H4Cl2
평균 분자량: 171.02 g/mol
단동위원소 질량: 169.9690055

이름 및 식별자

우선 이름: 3,4-Dichlorophenylacetylene
IUPAC: 1,2-dichloro-4-ethynylbenzene
현지명: 3,4-디클로로페닐라세틸렌
영어명: 3,4-Dichlorophenylacetylene
분자식: C8H4Cl2
분자량: 171.02

이름 및 동의어

3,4-DichlorophenylacetyleneRefChem:485986625-339-7556112-20-01,2-dichloro-4-ethynylbenzene1,2-Dichloro-4-ethynyl-BenzeneMFCD07783046Benzene, 1,2-dichloro-4-ethynyl-DTXSID706573283,4-Dichlorophenylacetylene, 97%AB93365D84161

이름 더 보기

3,4-디클로로페닐라세틸렌3,4-DICHLORO-1-ETHYNYLBENZENE1,2-Dichloro-4-ethynylbenzene - [D94225]3,4-DICHLOROPHENYLACETYLENE ISO 9001：2015 REACH1,2-Dichloro-4-ethynylbenzene, 3,4-Dichloro-1-ethynylbenzene

EN300-1254858MJHFEHXRVNTQIL-UFT-0647186SCHEMBL2236921SCHEMBL18244904MJHFEHXRVNTQIL-UHFFFAOYSA-NGXA11220AKOS010651451

데이터베이스 식별자

CAS: 556112-20-0
PubChem CID: 44119622
DTXSID: DTXSID70657328
EC Number: 625-339-7
Nikkaji: J2.767.928E

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 38 · 38-42 °C
끓는 점: 225.1 · 225.1±30.0 °C(Predicted)
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
인화점: 96 °C · 96 °C
저장 조건: 2 · 2-8°C
물리적 상태: 푹신한 결정성 분말
색상: Pale orange/gold
InChI: 1S/C8H4Cl2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H
InChIKey: MJHFEHXRVNTQIL-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1Cl)C#C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, 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 41 reports by companies from 4 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 4 (97.6%)

안전 데이터

wgk: 3
HS 번호: 2903998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37
위험 참고 사항: Irritant
Hazard Classifications: Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

3',4'-Dichloroacetophenone

공급사49 곳

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