CAS 2302-25-2 1H-Imidazole, 4-bromo- (HCID 96125)

이름 및 식별자

우선 이름: 1H-Imidazole, 4-bromo-
IUPAC: 5-bromo-1H-imidazole
현지명: 4-브로모-1H-이미다졸
영어명: 4-Bromo-1H-imidazole
분자식: C3H3BrN2
분자량: 146.97

이름 및 동의어

4-Bromo-1H-imidazole2302-25-24-Bromoimidazole1H-Imidazole, 4-bromo-Imidazole, 4-bromo-4(or 5)-BromoimidazoleDTXSID50177574NSC 54254NSC 227280RefChem:438298Imidazole, 4-bromo-(8CI)DTXCID10100065

이름 더 보기

4-브로모-1H-이미다졸4-bromo-imidazol4-Bromine imidazole4-bromo-1h-imidazol4(5)-BROMO IMIDAZOLE4(or5)-bromoimidazole4(or5)-bromo-imidazol4-Bromoimidazole 98+

Imidazole, 4(or 5)-bromo-(6CI,7CI)627-452-75-bromo-1H-imidazole1H-Imidazole, 5-bromo-5-bromoimidazoleMFCD00047021B9S8CMG5ADImidazole, 4(or 5)-bromo-

데이터베이스 식별자

CAS: 2302-25-2
PubChem CID: 96125
DTXSID: DTXSID50177574
ChEMBL: CHEMBL1232569
UNII: B9S8CMG5AD
EC Number: 627-452-7
Nikkaji: J103.201A

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 48

물리화학적 성질

녹는점: 131 · 131-135 °C (lit.)
끓는 점: 324.7 · 324.7±15.0 °C(Predicted)
밀도: 1.904 · 1.904±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
용해도: soluble in Dimethylformamide
산도 계수 (pKa): 11.7 · 11.70±0.10(Predicted)
물리적 상태: 결정질 플레이크 또는 분말
색상: 무색~베이지색
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey: FHZALEJIENDROK-UHFFFAOYSA-N
SMILES: C1NC(Br)=CN=1

화학적 성질

Colorless to beige crystalline flakes or powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (95.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (95.7%)；Skin Irrit. 2 (95.7%)；Eye Irrit. 2 (95.7%)；STOT SE 3 (93.5%)

안전 데이터

wgk: 3
rtecs: NI3517450
ridadr: UN 2811 6.1/PG 3
독성: rat,LD50,oral,250mg/kg (250mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)GASTROINTESTINAL: OTHER CHANGES,Toxicology and Applied Pharmacology. Vol. 89, Pg. 175, 1987.
HS 번호: 29339900
risk_code: 25-36/37/38
hazard_code: T
safety_code: 26-36-45-37/39-28A
포장분류: Ⅲ
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects

화학 및 산업

응용 분야

용도Employed as an important intermediate for raw material for organic synthesis, agrochemical, pharmaceutical and dyestuff field

일반 설명4-Bromo-1H-imidazole (4-Br-1H-Im) is a heterocyclic building block containing an imidazole ring. It crystallizes in the monoclinic space group P21/c.

상·하류 제품 정보

상류 원료

하류 제품

4-브로모-1-트리틸-1H-이미다졸 5-브로모-4-니트로-1H-이미다졸 4-브로모-1-메틸-1H-이미다졸 트리페닐메탄올 4-[2-(4-bromo-1H-imidazol-1-yl)ethyl]morpholine

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

화합물 노트

불러오는 중…

4-브로모-1H-이미다졸

기본 정보