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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 75005作成日:2026年10月27日

4-ブロモフェニルアザイド

1-ブロモ-4-アジドベンゼン · 4-ブロモフェニルアザイド · p-ブロモフェニルアザイド · 1-アジド-4-ブロモベンゼン · (4-ブロモフェニル)アザイド · p-Bromophenyl azide · 1-Azido-4-bromobenzene · 1-Bromo-4-azidobenzene

https://huagongshe.com/ja/chemical/75005

4-ブロモフェニルアザイド の分子構造式

識別子と物理属性

CAS No.2101-88-4
分子式C6H4BrN3
平均分子量198.02 g/mol
単同位体質量196.95886 g/mol
SMILES[N-]=[N+]=Nc1ccc(Br)cc1
InChIKeyWHSJSMSBFMDFHK-UHFFFAOYSA-N
PubChem CID75005
ChEMBLCHEMBL3236178
EC No.663-402-0
DTXSIDDTXSID10175218
現地名4-ブロモフェニルアザイド

化学・物理的性質

XLogP3.7
極性表面積14.4
水素結合供与体数0
水素結合受容体数2
回転可能結合数1
重原子数10
形式電荷0
複雑度145
融点20°C
沸点105 °C(Press: 10 Torr)
密度1.5827
屈折率1.6400 (estimate)
引火点-33℃
貯蔵条件-20°C
外観・状態liquid
BRN1939308
InChIInChI=1S/C6H4BrN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H
InChIKeyWHSJSMSBFMDFHK-UHFFFAOYSA-N
SMILESC1(N=[N+]=[N-])=CC=C(Br)C=C1

安全性と法規制

GHS 分類DangerH241 (92.9%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixturesOrganic peroxides]H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H372 (97.6%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]P210, P234, P235, P240, P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P380+P375[+P378], P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 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.
Hazard Classes and CategoriesSelf-react. B (92.9%)Skin Irrit. 2 (92.9%)Eye Irrit. 2 (92.9%)STOT SE 3 (92.9%)STOT RE 1 (97.6%)
水環境危害等級(WGK)3
輸送番号(UN)UN 2398 3 / PGII
危険文句(R)11-38-48/23/24/25
危険表示F,T
安全措置(S)16
危険等級Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT RE 1
貯蔵分類3 - Flammable liquids