1-브로모-2-메틸부탄

1-Bromo-2-methylbutane

HCID 25254CAS 10422-35-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(C)CBr
InChIKey: XKVLZBNEPALHIO-UHFFFAOYSA-N
분자식: C5H11Br
평균 분자량: 151.04 g/mol
단동위원소 질량: 150.00441245

이름 및 식별자

우선 이름: 1-Bromo-2-methylbutane
IUPAC: 1-bromo-2-methylbutane
현지명: 1-브로모-2-메틸부탄
영어명: 1-Bromo-2-methylbutane
분자식: C5H11Br
분자량: 151.04

이름 및 동의어

1-BROMO-2-METHYLBUTANE10422-35-25973-11-5Butane, 1-bromo-2-methyl-2-Methylbutyl BromideDL-1-Bromo-2-methylbutane1-bromoisopentane(1)-1-Bromo-2-methylbutaneEINECS 227-768-19787127K0PDTXSID50870593UNII-9787127K0P

이름 더 보기

1-브로모-2-메틸부탄2-METHYL BROMOBUTANE1-bromo-2-methyl-butanFr-0081TIMTEC-BB SBB0076691-broMo-2-Methy butane2-METHYL-1-BUTYL BROMIDE2-METHYL-1-BUTYL BROMIDE 97%(+-) 1-Bromo-2-methylbutane 95

2-METHYLBUTAN-1-YL BROMIDEButane, 1-bromo-2-methyl-, DL-Butane, 1-bromo-2-methyl-, (.+/-.)-RefChem:75078DTXCID20818301Butane, 1-bromo-2-methyl-, (+-)-1-BROMO-2-METHYLBUTANE, (+-)-227-768-1

데이터베이스 식별자

CAS: 10422-35-2、5973-11-5
PubChem CID: 25254
DTXSID: DTXSID50870593
ChEMBL: CHEMBL156329
UNII: 9787127K0P
EC Number: 227-768-1、600-538-1
Nikkaji: J95.692I

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 27.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

녹는점: -105.4 °C · -105.4°C (estimate)
끓는 점: 122.93 °C · 122.93°C (estimate)
밀도: 1.214 · 1.2140
굴절률: 1.4426 · 1.4426
인화점: 22 °C · 22 °C
Henry's Law Constant: 8.8 · 8.8×10-4 mol/(m3Pa) at 25℃, Nirmalakhandan and Speece (1988)
InChI: InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
InChIKey: XKVLZBNEPALHIO-UHFFFAOYSA-N
SMILES: C(C)(CBr)CC
NIST: 1 · Butane, 1-bromo-2-methyl-(10422-35-2)
EPA: 1 · Butane, 1-bromo-2-methyl-(10422-35-2)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H225 (97.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]