알파-클로로-4-(tert-펜틸)톨루엔

Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-

HCID 141400

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 28162-11-0
표준 SMILES: CCC(C)(C)c1ccc(CCl)cc1
InChIKey: GZSVKIJGGVPFGX-UHFFFAOYSA-N
분자식: C12H17Cl
평균 분자량: 196.71 g/mol
단동위원소 질량: 196.1018782

이름 및 식별자

우선 이름: Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-
IUPAC: 1-(chloromethyl)-4-(2-methylbutan-2-yl)benzene
현지명: 알파-클로로-4-(tert-펜틸)톨루엔
영어명: alpha-Chloro-4-(tert-pentyl)toluene
분자식: C12H17Cl
분자량: 196.72

이름 및 동의어

28162-11-0Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-DTXSID50182426RefChem:898571DTXCID60104917alpha-Chloro-4-(tert-pentyl)toluene1-(Chloromethyl)-4-(tert-pentyl)benzene1-(chloromethyl)-4-(2-methylbutan-2-yl)benzeneMFCD000188844-tert-pentylbenzyl chlorideSCHEMBL6299448GZSVKIJGGVPFGX-UHFFFAOYSA-N

이름 더 보기

알파-클로로-4-(tert-펜틸)톨루엔P-T-AMYL CHLOROBENZYL-Chloro-4-(tert-pentyl)tolueneα-chloro-4-(tert-pentyl)toluene1-tert-amyl-4-(chloromethyl)benzenealpha-Chloro-4-(tert-pentyl)toluene 95%Benzene, 1-(chloromethyl)-4-(1,1-dimethylpropyl)-

alpha-chloro-4-(tert-pentyl)-tolueneAKOS006283792AS-93332DB-022450EN300-207803F721891-(chloromethyl)-4-(1,1-dimethylpropyl)benzeneF868714

데이터베이스 식별자

CAS: 28162-11-0
PubChem CID: 141400
DTXSID: DTXSID50182426
EC Number: 631-120-7

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 143

물리화학적 성질

끓는 점: 259.1 · 259.1±9.0 °C(Predicted)
밀도: 0.982 · 0.982±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (97.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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.