基本情報
- CAS
24589-77-3- 標準SMILES
Cl.NNc1ccc(C(=O)O)cc1- InChIKey
XHLQMKQBCHYRLC-UHFFFAOYSA-N- 分子式
- C7H9ClN2O2
- 平均分子量
- 188.61 g/mol
- 単同位体質量
- 188.0352552
名称と識別子
- 優先名称
- Benzoic acid, 4-hydrazinyl-, hydrochloride (1:1)
- IUPAC
- 4-hydrazinylbenzoic acid;hydrochloride
- 現地名
- 4-ヒドラジノ安息香酸塩酸塩
- 英語名
- 4-Hydrazinobenzoic acid hydrochloride
- 分子式
- C7H9ClN2O2
- 分子量
- 188.61
名称と別名
24589-77-34-Hydrazinobenzoic acid hydrochloridep-Hydrazinobenzoic acid hydrochloride4-Carboxyphenylhydrazine hydrochlorideBenzoic acid, 4-hydrazino-, monohydrochlorideBenzoic acid, 4-hydrazinyl-, hydrochloride (1:1)DTXSID80207094-Hydrazinobenzoic acid monohydrochlorideNSC-153171DTXCID40709UX5352D97ZRefChem:523626
名称をさらに表示
4-ヒドラジノ安息香酸塩酸塩4-ヒドラジノ安息香酸 塩酸塩4-ヒドラジノ安息香酸・塩酸塩BIO-FARMA BF0010824-Hydrazinobenzoic4-Hydrazinobenzoic aLABOTEST-BB LT01596126P-CARBOXYPHENYL HYDRAZINE HCLHydrazinobenzoic acid hydrochloriP HYDRAZINOBENZOIC ACID HYDROCHLORIDECarboxy phenylhydrazine hydrochloride
246-330-04-hydrazinylbenzoic acid hydrochlorideMFCD000390734-Carboxyphenylhydrazinium chloridep-Hydrazinobenzoic acid.HClp-Carboxyphenylhydrazine hydrochloride4-hydrazinylbenzoic acid;hydrochloride4-HYDRAZINOBENZOIC ACID HCL
データベース識別子
- CAS
24589-77-3- PubChem CID
- 90547
- DTXSID
DTXSID8020709- ChEMBL
CHEMBL3184112- UNII
- UX5352D97Z
- EC Number
- 246-330-0
物性
構造計算による物性
- 極性表面積
- 75.4 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 141
物理化学的性質
- 融点
- 253 °C · 253 °C (dec.)(lit.)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- DMSO (Slightly), Methanol (Sparingly)
- 外見
- Solid
- 色
- White to Off-White
- 水溶解度
- 水に溶ける。
- InChI
- InChI=1S/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
- InChIKey
- XHLQMKQBCHYRLC-UHFFFAOYSA-N
- SMILES
- C1(C(=O)O)=CC=C(NN)C=C1.Cl
- CAS データベース
- 24589 · 24589-77-3(CAS DataBase Reference)
- EPAの化学物質情報
- 4 · Benzoic acid, 4-hydrazino-, monohydrochloride (24589-77-3)
化学的性質
化学的特性white to light yellow crystal powder
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DH1700000
- hs_code
- 2928009090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
General Manufacturing InformationBenzoic acid, 4-hydrazinyl-, hydrochloride (1:1): INACTIVE
応用分野
使用4-Hydrazinobenzoic acid hydrochloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields. It may be used for the preparation of 4-(3-(2-(tert-butoxycarbonylamino)ethyl)-5-hydroxy-1H-pyrazol-1-yl)benzoic acid.
一般的な説明4-Hydrazinobenzoic acid (p-Hydrazinobenzoic acid, HBA) has been reported as an ingredient of the cultivated mushroom Agaricus bisporus. It is carcinogenic to rodents. Mechanism of DNA damage by 4-hydrazinobenzoic acid has been studied by using 32P-labeled DNA fragments obtained from the human p53 and p16 tumor suppressor genes. It may be used for the preparation of 4-(3-(2-(tert-butoxycarbonylamino)ethyl)-5-hydroxy-1H-pyrazol-1-yl)benzoic acid.
サプライヤー100 社
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
関連反応
5 件
化合物ノート
読み込み中…