CAS 1003-21-0 5-Bromo-1-methyl-1H-imidazole (HCID 1515258)

기본 정보

CAS: 1003-21-0
표준 SMILES: Cn1cncc1Br
InChIKey: HATLLUIOEIXWGD-UHFFFAOYSA-N
분자식: C4H5BrN2
평균 분자량: 161 g/mol
단동위원소 질량: 159.96361026

이름 및 식별자

우선 이름: 5-Bromo-1-methyl-1H-imidazole
IUPAC: 5-bromo-1-methylimidazole
현지명: 5-브로모-1-메틸-1H-이미다졸
영어명: 5-Bromo-1-methyl-1H-imidazole
분자식: C4H5BrN2
분자량: 161

이름 및 동의어

5-Bromo-1-methyl-1H-imidazole1003-21-0DTXSID60363926RefChem:301432DTXCID00314972629-338-25-Bromo-1-methylimidazole1H-Imidazole, 5-bromo-1-methyl-MFCD016322185-bromo-1-methyl-imidazole5-bromo-N-methyl-imidazole5-bromo-1-methyl imidazole

이름 더 보기

5-브로모-1-메틸-1H-이미다졸1289785-Bromo-1-methyL5-BROMO-N-METHYLIMIDAZOLE5-Bromo-1-methylimidazole,97%1H-Imidazole,5-bromo-1-methyl-5-BroMo-1-Methyl-1H-iMidazole 97%

SCHEMBL3081021H-Imidazole, 5-bromo-1-methyl-;AMY3032ST054349imidazole, 5-bromo-1-methyl-SCHEMBL2038849SCHEMBL2045767HATLLUIOEIXWGD-UHFFFAOYSA-

데이터베이스 식별자

CAS: 1003-21-0
PubChem CID: 1515258
DTXSID: DTXSID60363926
EC Number: 629-338-2
Nikkaji: J465.886H

물성

구조 계산 물성

XLogP: 1
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 66.7

물리화학적 성질

녹는점: 40 · 40-44 °C (lit.)
끓는 점: 120 °C · 120°C 15mm
밀도: 1.69 · 1.69±0.1 g/cm3(Predicted)
인화점: 180 °F · 180 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 5.25 · 5.25±0.10(Predicted)
물리적 상태: 크리스탈
색상: Colourless/white
InChI: InChI=1S/C4H5BrN2/c1-7-3-6-2-4(7)5/h2-3H,1H3
InChIKey: HATLLUIOEIXWGD-UHFFFAOYSA-N
SMILES: C1N(C)C(Br)=CN=1

화학적 성질

White to tan crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (95.7%): 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 46 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 (95.7%)

안전 데이터

wgk: 3
ridadr: UN 3335
HS 번호: 29332900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant/Keep Cold
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Bromo-1-methyl-1H-imidazole is an ether that inhibits the farnesyltransferase enzyme. It also inhibits the activity of other enzymes such as dimethyl dioxan disulphide and alkylation inhibitors.