1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene (HCID 87836)

이름 및 식별자

우선 이름: 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene
IUPAC: 1-(bromomethyl)-4-tert-butylbenzene
영어명: 4-tert-Butylbenzyl bromide
분자식: C11H15Br
분자량: 227.14

이름 및 동의어

1-(Bromomethyl)-4-(1,1-dimethylethyl)benzeneEINECS 242-643-1DTXSID00172251NSC 186287RefChem:427302DTXCID4094742242-643-14-tert-Butylbenzyl bromide18880-00-71-(Bromomethyl)-4-(tert-butyl)benzene1-(Bromomethyl)-4-tert-butylbenzenep-tert-Butylbenzyl bromide

이름 더 보기

4-tert-Butylbenzyl bP-T-BUTYLBENZYL BROMIDE4-Tert-Buthylbenzyl Bromideα-bromo-4-(tert-butyl)toluene4-(tert-Butyl)benzylbromide,97%4-(TERT-BUTYL)BENZYLBROMIDE 97%ALPHA-BROMO-4-(TERT-BUTYL)TOLUENE

4-tert-Butylbenzylbromide4-(tert-Butyl)benzylbromideBenzene, 1-(bromomethyl)-4-(1,1-dimethylethyl)-1-Bromomethyl-4-tert-butylbenzeneMFCD000001804-(tert-butyl)benzyl bromide1-(Bromomethyl)-4-Tert-ButYl-Benzene4-t-butylbenzylbromide

데이터베이스 식별자

CAS: 18880-00-7
PubChem CID: 87836
DTXSID: DTXSID00172251
UNII: 49N4J7MYP3
EC Number: 242-643-1
Nikkaji: J37.674D

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 126

물리화학적 성질

녹는점: 8 · 8-12 °C (lit.)
끓는 점: 93 · 93-94 °C/1.5 mmHg (lit.)
밀도: 1.236 g/mL · 1.236 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.545(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체
색상: 맑은 연한 노란색
Specific Gravity: 1.236 · 1.236
BRN: 471674 · 471674
InChI: InChI=1S/C11H15Br/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3
InChIKey: QZNQSIHCDAGZIA-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=C(C(C)(C)C)C=C1
NIST: p-tert-Butylbenzyl bromide(18880-00-7)

화학적 성질

colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29036990
risk_code: 34
hazard_code: C,Xi
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 19
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도4-tert-Butylbenzyl bromide, a hydrophobic reactant, was used to keep the loaded mesoporous material particles under continuous stirring.

일반 설명The nucleophilic substitution reaction of 4-tert-butylbenzyl bromide and potassium iodide was carried out in oil-in-water microemulsions based on various surfactants.