기본 정보
- 표준 SMILES
CC(C)(C)c1ccc(CCl)cc1- InChIKey
WAXIFMGAKWIFDQ-UHFFFAOYSA-N- 분자식
- C11H15Cl
- 평균 분자량
- 182.69 g/mol
- 단동위원소 질량
- 182.08622816
이름 및 식별자
- 우선 이름
- Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-
- IUPAC
- 1-tert-butyl-4-(chloromethyl)benzene
- 현지명
- 4-(터트-뷰틸)벤질 염화물
- 영어명
- 4-tert-Butylbenzyl chloride
- 분자식
- C11H15Cl
- 분자량
- 182.69
이름 및 동의어
4-tert-Butylbenzyl chlorideBenzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-p-tert-Butyl-alpha-chlorotoluenep-(tert-Butyl)-alpha-chlorotolueneEINECS 243-228-8Benzene, 1-chloromethyl-4-(1,1-dimethylethyl)-RefChem:562385243-228-819692-45-61-(tert-butyl)-4-(chloromethyl)benzenep-tert-Butylbenzyl chloride1-tert-Butyl-4-(chloromethyl)benzene
이름 더 보기
4-(터트-뷰틸)벤질염화물4-(터트-뷰틸)벤질염화물(4-(tert-BUTYL)BENZYLCHLORIDE)AKOS BBS-00003972Butenafine Impurity 2P-T-BUTYLBENZYL CHLORIDE4-t-Butylbenzyl chloridetert-Butyl Benzyl Chloride4-Chloromethyl-t-butylbenzene4-(tert-Butyl)-α-chlorotoluene
4-(tert-Butyl)benzyl chlorideMFCD000009181-(tert-Butyl)-4-(chloromethyl);benzenep-tert-Butyl-.alpha.-chlorotoluene4-(Tert-Butyl)benzylchloride4-(Tert-Butyl) Benzyl Chloride1-tert-butyl-4-chloromethylbenzene4-t-butylbenzylchloride
데이터베이스 식별자
- CAS
19692-45-6- PubChem CID
- 88198
- DTXSID
DTXSID7066516- EC Number
- 243-228-8
- Nikkaji
- J31.719E
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 126
실험 및 물리화학적 성질
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
물리화학적 성질
- 녹는점
- -18 °C · -18 °C
- 끓는 점
- 101 · 101-105 °C7 mm Hg(lit.)
- 밀도
- 0.945 g/mL · 0.945 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.521(lit.)
- 인화점
- 202 °F · 202 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 액체
- 색상
- 무색투명~미황색
- Specific Gravity
- 0.945 · 0.945
- 수용성
- 물에 약간 용해됩니다.
- BRN
- 471673 · 471673
- InChI
- 1S/C11H15Cl/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3
- InChIKey
- WAXIFMGAKWIFDQ-UHFFFAOYSA-N
- SMILES
- CC(C)(C)c1ccc(CCl)cc1
- NIST
- 1 · Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-(19692-45-6)
- EPA
- p-tert-Butylbenzyl chloride (19692-45-6)
화학적 성질
clear colorless to slightly yellow 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, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, 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 InformationChemical: Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-
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,Xi
- safety_code
- 26-27-28-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- F 고인화성물질
- 21
- 위험 참고 사항
- Irritant
- 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, 1-(chloromethyl)-4-(1,1-dimethylethyl)-: ACTIVE
응용 분야
용도4-tert-Butylbenzyl chloride has been used to control molecular weight and prevent microgel formation during polymerization reaction.
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상류 원료
하류 제품
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