4-메틸페네틸브로마이드97

4-Methylphenethyl bromide

HCID 570680

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6529-51-7
표준 SMILES: Cc1ccc(CCBr)cc1
InChIKey: IAZCKSJRRRXZEY-UHFFFAOYSA-N
분자식: C9H11Br
평균 분자량: 199.09 g/mol
단동위원소 질량: 198.00441245

이름 및 식별자

우선 이름: 4-Methylphenethyl bromide
IUPAC: 1-(2-bromoethyl)-4-methylbenzene
현지명: 4-메틸페네틸브로마이드97
영어명: 4-METHYLPHENETHYL BROMIDE 97
분자식: C9H11Br
분자량: 199.09

이름 및 동의어

6529-51-74-Methylphenethyl bromideDTXSID90341156RefChem:525660DTXCID10292237627-553-61-(2-Bromoethyl)-4-methylbenzene4-Methylphenethylbromidep-(2-Bromoethyl)toluene4-(2-Bromoethyl)tolueneMFCD00050368Benzene, 1-(2-bromoethyl)-4-methyl-

이름 더 보기

4-메틸페네틸브로마이드974-Methylphenylethyl bromide4-Methylphenethyl broMide 97%4-METHYLPHENETHYL BROMIDE 974-(2-Bromoethyl)toluene, 4-Methyl-1-(2-bromoethyl)benzene

1-(2-Bromo-ethyl)-4-methyl-benzene4-Methyl-1-(2-bromoethyl)benzeneToluene, p-(2-bromoethyl)-2-(p-Tolyl)ethyl bromide4-METHYLPHENETHYL BROMIDE 972-p-Tolylethyl bromideSCHEMBL933882SCHEMBL7642459

데이터베이스 식별자

CAS: 6529-51-7
PubChem CID: 570680
DTXSID: DTXSID90341156
EC Number: 627-553-6
Nikkaji: J31.720I

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 82.7

물리화학적 성질

끓는 점: 100 · 100-101 °C9 mm Hg
밀도: 1.306 g/mL · 1.306 g/mL at 25 °C
굴절률: 20 · n20/D 1.550
인화점: 230 °F · 230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: 1S/C9H11Br/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7H2,1H3
InChIKey: IAZCKSJRRRXZEY-UHFFFAOYSA-N
SMILES: Cc1ccc(CCBr)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.