1-브로모-4-이소부틸벤젠

1-Bromo-4-(2-methylpropyl)benzene

HCID 3789018CAS 2051-99-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)Cc1ccc(Br)cc1
InChIKey: BVBHVVRVSMBCPW-UHFFFAOYSA-N
분자식: C10H13Br
평균 분자량: 213.11 g/mol
단동위원소 질량: 212.02006

이름 및 식별자

우선 이름: 1-Bromo-4-(2-methylpropyl)benzene
IUPAC: 1-bromo-4-(2-methylpropyl)benzene
현지명: 1-브로모-4-이소부틸벤젠
영어명: 1-Bromo-4-isobutylbenzene
분자식: C10H13Br
분자량: 213.11

이름 및 동의어

2051-99-21-bromo-4-(2-methylpropyl)benzeneRefChem:430566965-005-01-Bromo-4-isobutylbenzeneBenzene, 1-bromo-4-(2-methylpropyl)-MFCD03425886p-bromoisobutylbenzene4-isobutylbromobenzene4-bromo-isobutylbenzenepara-bromoiso-butylbenzene1-Brom-4-isobutyl-benzol

이름 더 보기

1-브로모-4-이소부틸벤젠P-BROMISOBUTYLBENZENE4-BROMOISOBUTYLBENZENEP-BROMO-ISO-BUTYLBENZENE1-Isobutyl-4-bromobenzene1-bromo-4-isobutyllbenzenebenzene,1-(2-methylpropyl)-4-bromo-1-Bromo-4-(2-methylprop-1-yl)benzene, 1-(4-Bromophenyl)-2-methylpropane

SCHEMBL1437577SCHEMBL8210757SCHEMBL8734135SCHEMBL8860962SCHEMBL10439461DTXSID70396427BVBHVVRVSMBCPW-UHFFFAOYSA-NCAA05199

데이터베이스 식별자

CAS: 2051-99-2
PubChem CID: 3789018
DTXSID: DTXSID70396427
EC Number: 965-005-0
Nikkaji: J94.965E

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 101

물리화학적 성질

녹는점: -49.68 °C · -49.68 °C
끓는 점: 97 · 97-98 °C(Press: 5 Torr)
밀도: 1.2609 g/cm3 · 1.2609 g/cm3
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 투명한
InChI: InChI=1S/C10H13Br/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey: BVBHVVRVSMBCPW-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(CC(C)C)C=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.