기본 정보
- 표준 SMILES
ClCc1ccc(Cl)c(Cl)c1- InChIKey
YZIFVWOCPGPNHB-UHFFFAOYSA-N- 분자식
- C7H5Cl3
- 평균 분자량
- 195.5 g/mol
- 단동위원소 질량
- 193.945683
이름 및 식별자
- 우선 이름
- 3,4-Dichlorobenzyl chloride
- IUPAC
- 1,2-dichloro-4-(chloromethyl)benzene
- 현지명
- 3,4-디클로로벤질클로라이드
- 영어명
- 1,2-Dichloro-4-(chloromethyl)benzene
- 분자식
- C7H5Cl3
- 분자량
- 195.47
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
102-47-6- PubChem CID
- 7609
- DTXSID
DTXSID9059252- UNII
- 451PB8SMIE
- EC Number
- 203-033-0
- Nikkaji
- J91.328F
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 105
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -3 °C · -3 °C
- 끓는 점
- 122 · 122-124 °C14 mm Hg(lit.)
- 밀도
- 1.411 g/mL · 1.411 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.577(lit.)
- 인화점
- 155 °C · 155 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 에 용해됨클로로포름, 메탄올 (약간 용해됨)
- 물리적 상태
- 액체
- Specific Gravity
- 1.409 · 1.409
- 색상
- 투명하고 무색에서 아주 약간 노란색을 띤다.
- BRN
- 386644 · 386644
- InChI
- InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
- InChIKey
- YZIFVWOCPGPNHB-UHFFFAOYSA-N
- SMILES
- C1(Cl)=CC=C(CCl)C=C1Cl
- NIST
- 1 · Benzene, 1,2-dichloro-4-(chloromethyl)-(102-47-6)
- EPA
- 1 · Benzene, 1,2-dichloro-4-(chloromethyl)- (102-47-6)
화학적 성질
CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (94.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H335 (88.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 9 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
Regulatory Information
Chemical: Benzene, 1,2-dichloro-4-(chloromethyl)-
Benzene, 1,2-dichloro-4-(chloromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
규제 정보
Regulatory Information
Chemical: Benzene, 1,2-dichloro-4-(chloromethyl)-
Benzene, 1,2-dichloro-4-(chloromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29036990
- risk_code
- 34-36/37
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- F 고인화성물질
- 19
- 위험 참고 사항
- Corrosive
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
응용 분야
용도3,4-Dichlorobenzyl chloride has been used:in Friedel-Crafts synthesis of 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, a key intermediate for the synthesis of sertralineas alkylating agent in synthesis of poly(ether ketone)s having pendant sulfonic acid groupsin preparation of 5,6-dichloro-2-(3,4-dichlorobenzylthio)benzimidazole
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