2,5 Dibromotoluene

HCID 12006CAS 615-59-8

기본 정보

표준 SMILES: Cc1cc(Br)ccc1Br
InChIKey: QKEZTJYRBHOKHH-UHFFFAOYSA-N
분자식: C7H6Br2
평균 분자량: 249.93 g/mol
단동위원소 질량: 247.88362439

이름 및 식별자

우선 이름: 2,5 Dibromotoluene
IUPAC: 1,4-dibromo-2-methylbenzene
영어명: 2,5-Dibromotoluene
분자식: C7H6Br2
분자량: 249.93

이름 및 동의어

2,5-DIBROMOTOLUENE615-59-81,4-Dibromo-2-methylbenzeneBenzene, 1,4-dibromo-2-methyl-Toluene, 2,5-dibromo-3,6-dibromotoluene2,5 DibromotolueneBAX67T68IKNSC 6222NSC-6222EINECS 210-437-01,4-DIBROMOTOLUENE

이름 더 보기

2,5-dibromotulueneToluene,2,5-dibromo-2,5-Dibromotoluene>2,5-Dibromotoluene,99%2,5-Dibromotoluene 97%2,5-Dibromotoluene,97%f,5-DIBROMOTOLUENE, 98%2,5-Dibromotoluene ,98%

DTXSID1050389RefChem:444000DTXCID2029406210-437-0MFCD000000901,4-dibromo-2-methyl-benzene2,5-DIBROMO TOLUENENSC6222

데이터베이스 식별자

CAS: 615-59-8
PubChem CID: 12006
DTXSID: DTXSID1050389
UNII: BAX67T68IK
EC Number: 210-437-0
Nikkaji: J94.910H

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 92.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

녹는점: 5 · 5-6 °C (lit.)
끓는 점: 135 · 135-136 °C/35 mmHg (lit.)
밀도: 1.815 g/mL · 1.815 g/mL at 25 °C (lit.)
굴절률: 1.601 · 1.601-1.603
인화점: 110 °C · 110°C
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태: 액체
Specific Gravity: 1.815 · 1.815
색상: 무색~황색으로 투명함
BRN: 1859123 · 1859123
InChI: 1S/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey: QKEZTJYRBHOKHH-UHFFFAOYSA-N
SMILES: Cc1cc(Br)ccc1Br
NIST: 1 · Benzene, 1,4-dibromo-2-methyl-(615-59-8)
EPA: 2 · 2,5-Dibromotoluene (615-59-8)

화학적 성질

clear colourless to yellowish liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (92.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (92.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-37/39-26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,4-dibromo-2-methyl-: INACTIVE

응용 분야 · 1건

용도2,5-Dibromotoluene has been used:as internal standard for quantification of cyanide and thiocyanate in human saliva by GC-MSin the preparation of 2,5-bis(4′-alkoxycarbonylphenyl)styrenes, monomers required for the synthesis of mesogen-jacketed liquid-crystal polymers