기본 정보
- 표준 SMILES
BrCc1ccc(Br)cc1- InChIKey
YLRBJYMANQKEAW-UHFFFAOYSA-N- 분자식
- C7H6Br2
- 평균 분자량
- 249.93 g/mol
이름 및 식별자
- 우선 이름
- 4-Bromobenzyl bromide
- IUPAC
- 1-bromo-4-(bromomethyl)benzene
- 영어명
- 4-Bromobenzyl-d6 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
p-bromobenzyl bromide-d64-Bromobenzyl-d6 Bromide
Benzene, 1-bromo-4-(bromomethyl)-alpha,4-Dibromotoluene4-bromobenzylbromide.alpha.,p-DibromotolueneMFCD000001791-bromo-4-bromomethylbenzene1-(bromomethyl)-4-bromobenzene4-Bromo-1-bromomethylbenzene
데이터베이스 식별자
- CAS
229948-68-9- 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
- 형식 전하
- 0
- 복잡도
- 75
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
- 물리적 상태
- Solid
- 색상
- White to off-white
안전 및 규제
GHS 분류
GHS Classification
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
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.
화학 및 산업
용도 및 제조
UsesUsed to identify aromatic carboxylic acids; [Merck Index]
General Manufacturing InformationBenzene, 1-bromo-4-(bromomethyl)-: ACTIVE
공급사5 곳
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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