4-Bromobenzyl bromide

HCID 68527CAS 589-15-1
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기본 정보

표준 SMILES
BrCc1ccc(Br)cc1
InChIKey
YLRBJYMANQKEAW-UHFFFAOYSA-N
분자식
C7H6Br2
평균 분자량
249.93 g/mol
단동위원소 질량
247.88362439

이름 및 식별자

우선 이름
4-Bromobenzyl bromide
IUPAC
1-bromo-4-(bromomethyl)benzene
영어명
4-Bromobenzyl bromide
분자식
C7H6Br2
분자량
249.93

이름 및 동의어

4-Bromobenzyl bromide589-15-11-Bromo-4-(bromomethyl)benzenep-Bromobenzyl bromidealpha,p-DibromotolueneDTXSID50444453D1TTL8BGNToluene, p,alpha-dibromo-NSC-113584DTXCID3024445RefChem:98184209-636-5
이름 더 보기
Para Bromo Benzyl Bromid4BBBPBBBNSC 113584α,4-DibromtoluolAKOS BBS-00004014p,-Dibromotoluene,4-Dibromotoluene
Benzene, 1-bromo-4-(bromomethyl)-alpha,4-Dibromotoluene4-bromobenzylbromide.alpha.,p-DibromotolueneMFCD000001791-bromo-4-bromomethylbenzene1-(bromomethyl)-4-bromobenzene4-Bromo-1-bromomethylbenzene

데이터베이스 식별자

CAS
589-15-1
PubChem CID
68527
DTXSID
DTXSID5044445
ChEMBL
CHEMBL3185105
UNII
3D1TTL8BGN
EC Number
209-636-5
Nikkaji
J31.707A

물성

구조 계산 물성

XLogP
3.4
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionSolid with an agreeable aromatic odor; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
62 · 62-64 °C(lit.)
끓는 점
115 · 115-124 °C (12 mmHg)
밀도
1.8246 · 1.8246 (rough estimate)
굴절률
1.6066 · 1.6066 (estimate)
인화점
115 · 115-124°C/12mm
저장 조건
2 · Keep in dark place,Inert atmosphere,2-8°C

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (96.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 28-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20427

4-Bromobenzyl bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn eye, mucous membrane, nose, and throat irritant; [Merck Index] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Corr. 1 (96.9%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
HS 번호
29036990
risk_code
34-42/43
hazard_code
C

화학 및 산업

용도 및 제조

UsesUsed to identify aromatic carboxylic acids; [Merck Index]
General Manufacturing InformationBenzene, 1-bromo-4-(bromomethyl)-: ACTIVE

응용 분야

용도4-Bromobenzyl bromide is used to prepare a 20-member aminomethyl-substituted biaryl library via sequential N-alkylation of various amines.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

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