기본 정보
- 표준 SMILES
Cc1ccc(C)c(CCl)c1- InChIKey
PECXPZGFZFGDRD-UHFFFAOYSA-N- 분자식
- C9H11Cl
- 평균 분자량
- 154.63 g/mol
- 단동위원소 질량
- 154.05492803
이름 및 식별자
- 우선 이름
- Benzene, 2-(chloromethyl)-1,4-dimethyl-
- IUPAC
- 2-(chloromethyl)-1,4-dimethylbenzene
- 영어명
- 2,5-Dimethylbenzyl chloride
- 분자식
- C9H11Cl
- 분자량
- 154.64
이름 및 동의어
2,5-Dimethylbenzyl chloride2-Chloromethyl-p-xyleneBenzene, 2-(chloromethyl)-1,4-dimethyl-EINECS 212-529-61,4-Dimethyl-2-(chloromethyl)benzeneNSC 133437AI3-15520DTXSID4061177RefChem:117329DTXCID2048294212-529-6PECXPZGFZFGDRD-UHFFFAOYSA-N
이름 더 보기
AKOS BBS-00004039(Chloromethyl)-p-xylene2,5-Dimethy Benzyl Chloride2,5-DimethylbenzylChloride>2,5-Dimethylbenzyl chloride,98%1,4-Dimethyl-2-chloromethylbenzene
824-45-32-(Chloromethyl)-1,4-dimethylbenzene1-Chloromethyl-2,5-dimethylbenzeneMFCD000009022,5-dimethylbenzylchloride2-(Chloromethyl)-1,4-DiMethyl-Benzene2.5-Dimethylbenzyl chlorideNSC-133437
데이터베이스 식별자
- CAS
824-45-3- PubChem CID
- 69987
- DTXSID
DTXSID4061177- UNII
- GG9MT2WWS6
- EC Number
- 212-529-6
- Nikkaji
- J31.727F
물성
구조 계산 물성
- XLogP
- 3
- 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
- 101
실험 및 물리화학적 성질
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
물리화학적 성질
- 녹는점
- -43.35 °C · -43.35°C (estimate)
- 끓는 점
- 221 · 221-226 °C(lit.)
- 밀도
- 1.046 g/mL · 1.046 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.537(lit.)
- 인화점
- 150 °F · 150 °F
- 저장 조건
- 2 · Storage temp. 2-8°C
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 수용성
- 불용성
- BRN
- 2206277 · 2206277
- InChI
- 1S/C9H11Cl/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3
- InChIKey
- PECXPZGFZFGDRD-UHFFFAOYSA-N
- SMILES
- Cc1ccc(C)c(CCl)c1
- NIST
- 2 · 2,5-Dimethylbenzyl chloride(824-45-3)
- EPA
- 2 · 2-Chloromethyl-p-xylene (824-45-3)
화학적 성질
clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationBenzene, 2-(chloromethyl)-1,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29039990
- risk_code
- 34-36/37
- hazard_code
- C
- safety_code
- 23-26-27-36/37/39-45-25
- 포장분류
- II
- 위험 등급
- 8
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzene, 2-(chloromethyl)-1,4-dimethyl-: INACTIVE
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상류 원료
하류 제품
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