5-ブロモ-1H-イミダゾール

1H-Imidazole, 4-bromo-

HCID 96125
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基本情報

CAS
2302-25-2
標準SMILES
Brc1cnc[nH]1
InChIKey
FHZALEJIENDROK-UHFFFAOYSA-N
分子式
C3H3BrN2
平均分子量
146.97 g/mol
単同位体質量
145.94796

名称と識別子

優先名称
1H-Imidazole, 4-bromo-
IUPAC
5-bromo-1H-imidazole
現地名
5-ブロモ-1H-イミダゾール
英語名
4-Bromo-1H-imidazole
分子式
C3H3BrN2
分子量
146.97

名称と別名

4-Bromo-1H-imidazole2302-25-24-Bromoimidazole1H-Imidazole, 4-bromo-Imidazole, 4-bromo-4(or 5)-BromoimidazoleDTXSID50177574NSC 54254NSC 227280RefChem:438298Imidazole, 4-bromo-(8CI)DTXCID10100065
名称をさらに表示
4-ブロモ-1H-イミダゾール5-ブロモ-1H-イミダゾール4-ブロモ-1H-イミダゾール 臭化物4‐ブロモ‐1H‐イミダゾール4-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-

データベース識別子

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

物性

構造計算による物性

XLogP
1.1
極性表面積
28.7 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
0
重原子数
6

物理化学的性質

融点
131 · 131-135 °C (lit.)
沸点
324.7 · 324.7±15.0 °C(Predicted)
比重(密度)
1.904 · 1.904±0.06 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C(protect from light)
溶解性
soluble in Dimethylformamide
酸解離定数(Pka)
11.7 · 11.70±0.10(Predicted)

化学的性質

化学的特性Colorless to beige crystalline flakes or powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

wgk
3
rtecs
NI3517450
ridadr
UN 2811 6.1/PG 3
毒性
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_code
29339900
risk_code
25-36/37/38

化学と産業

応用分野

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

一般的な説明4-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.

上流・下流製品情報

サプライヤー100 社

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]

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