2-(클로로메틸)알릴트리클로로실란

3-Chloro-2-chloromethyl-1-propene

HCID 15859CAS 1871-57-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=C(CCl)CCl
InChIKey: XJFZOSUFGSANIF-UHFFFAOYSA-N
분자식: C4H6Cl2
평균 분자량: 124.99 g/mol
단동위원소 질량: 123.98465555

이름 및 식별자

우선 이름: 3-Chloro-2-chloromethyl-1-propene
IUPAC: 3-chloro-2-(chloromethyl)prop-1-ene
현지명: 2-(클로로메틸)알릴트리클로로실란
영어명: 2-(Chloromethyl)allyltrichlorosilane
분자식: C4H6Cl2
분자량: 125

이름 및 동의어

1871-57-43-CHLORO-2-CHLOROMETHYL-1-PROPENE1-Propene, 3-chloro-2-(chloromethyl)-3-Chloro-2-(chloromethyl)propene1,3-Dichloro-2-methylenepropane2-Chloromethyl-3-chloropropene2-Methylene-1,3-dichloropropane2-Methylenepropane-1,3-dichloridePropene, 3-chloro-2-(chloromethyl)-3-chloro-2-(chloromethyl)-1-propeneUNII-1XTP1GFW2A1XTP1GFW2A

이름 더 보기

2-(클로로메틸)알릴트리클로로실란3-Chloro-2-(chloromethyl)prop-1-eneMETHALLYL DICHLORIDE1-Chloro-2-(chloromethyl)-2-propene2-(CHLOROMETHYL)-3-(TRICHLOROSILYL)PROPENE1,1-BIS(CHLOROMETHYL)ETHYLENE

2-chloromethyl-3-chloro-1-propeneEINECS 217-489-3NSC 88138BRN 1560178NSC-881382-(CHLOROMETHYL)ALLYL CHLORIDE1,1-bis(chloromethyl)etheneDTXSID3022166

데이터베이스 식별자

CAS: 1871-57-4
PubChem CID: 15859
DTXSID: DTXSID3022166
ChEMBL: CHEMBL160833
UNII: 1XTP1GFW2A
EC Number: 217-489-3
Nikkaji: J5.193D

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 43.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

녹는점: -14 °C · -14 °C (lit.)
끓는 점: 138 °C · 138 °C (lit.)
밀도: 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
증기 밀도: 3.12 · 3.12 (vs air)
굴절률: 20 · n20/D 1.484(lit.)
인화점: 98 °F · 98 °F
저장 조건: 2 · 2-8°C
용해도: 에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
물리적 상태: 액체
색상: 무색~황색으로 투명함
Specific Gravity: 1.08 · 1.08
폭발한계: 8.1 % · 8.1%
BRN: 1560178 · 1560178
InChI: 1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2
InChIKey: XJFZOSUFGSANIF-UHFFFAOYSA-N
SMILES: ClCC(=C)CCl
EPA: 1 · 1-Propene, 3-chloro-2-(chloromethyl)- (1871-57-4)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
rtecs: UC7400000
ridadr: UN 2987 8/PG 2
HS 번호: 29032990
risk_code: 14-34-36/37/38-25-10-36-50-23/25
hazard_code: T,Xi,F,N
safety_code: 26-27-36/37/39-45-36-16-61-37/39
포장분류: I
위험 등급: 6.1(a)
자연 발화 온도: 896 °F
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도3-Chloro-2-chloromethyl-1-propene can be used in the synthesis of 2,11-bis(methylidene)spermine, an inhibitor of spermine oxidase and branched side chains of conjugated polymers. It can also be used in the intermolecular [2+2] photocycloaddition during the total synthesis of ()-grandisol.