CAS 626-15-3 Benzene, 1,3-bis(bromomethyl)- (HCID 69373)

이름 및 식별자

우선 이름: Benzene, 1,3-bis(bromomethyl)-
IUPAC: 1,3-bis(bromomethyl)benzene
영어명: 1,3-Bis(bromomethyl)benzene
분자식: C8H8Br2
분자량: 263.96

이름 및 동의어

1,3-Bis(bromomethyl)benzene626-15-3m-Xylylene dibromideBenzene, 1,3-bis(bromomethyl)-m-Bis(bromomethyl)benzeneNSC 28040CCRIS 1777m-Xylene, alpha,alpha'-dibromo-EINECS 210-931-6DTXSID90608131,3-bis(bromomethyl)-benzeneRefChem:562277

이름 더 보기

m-Xylene dibromideM-XYLYLENE BROMIDEa,a'-Dibromo-m-xyleneJACS-626-15-3M-Bezyl DibroMideM-Benzyl DibroMideXylenedibromide,97%M-XYLYENE DIBROMIDEM-XYLIDENE DIBROMIDE

DTXCID1043411m-Xylene, alpha,alpha'-dibromo-(8CI)InChI=1/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6Halpha,alpha'-Dibromo-m-xyleneMFCD00000178alpha,alpha-dibromo-m-xyleneMTF8V3HX3Hm-Xylene, .alpha.,.alpha.'-dibromo-

데이터베이스 식별자

CAS: 626-15-3
PubChem CID: 69373
DTXSID: DTXSID9060813
UNII: MTF8V3HX3H
EC Number: 210-931-6
Nikkaji: J134.734I

물성

구조 계산 물성

XLogP: 3.1
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: 83.3

실험 및 물리화학적 성질

SpringerMaterials PropertiesFusion temperature

물리화학적 성질

녹는점: 74 · 74-77 °C(lit.)
끓는 점: 135 · 135-140 °C20 mm Hg(lit.)
밀도: 1.959 · 1.9590
굴절률: 1.6113 · 1.6113 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 0.1 g/mL, · 디옥산: 0.1 g/mL, 투명, 무색
물리적 상태: 결정성 분말 및 덩어리
색상: 흰색에서 갈색으로
수용성: 물에 불용성.
BRN: 971085 · 971085
InChI: InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
InChIKey: OXHOPZLBSSTTBU-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=CC(CBr)=C1
NIST: 1 · Benzene, 1,3-bis(bromomethyl)-(626-15-3)
EPA: 1 · 1,3-Bis(bromomethyl)benzene (626-15-3)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1,3-Bis(bromomethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (16.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3448 6.1/PG 2
HS 번호: 29036990
risk_code: 36/37/38-43
hazard_code: Xi
safety_code: 26-36/37
포장분류: III
위험 등급: 8
F 고인화성물질: 8-19-21
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,3-bis(bromomethyl)-: ACTIVE

응용 분야

용도1,3-Bis(bromomethyl)benzene has been used in preparation of four novel dinuclear half-titanocenes with meta - and ortho xylene bridges as new metallocenes 1 . It was used in the synthesis of dissymmetrical bis -macrocyclic salt 2 .

일반 설명α,α′-Dibromo-m-xylene can cross-link and cyclize peptides containing two cysteine residues.