基本情報
- 標準SMILES
NNC(=O)OCc1ccccc1- InChIKey
RXUBZLMIGSAPEJ-UHFFFAOYSA-N- 分子式
- C8H10N2O2
- 平均分子量
- 166.18 g/mol
- 単同位体質量
- 166.07422757
名称と識別子
- 優先名称
- Benzyl carbazate
- IUPAC
- benzyl N-aminocarbamate
- 現地名
- カルバジン酸ベンジル
- 英語名
- Carbobenzoxyhydrazide
- 分子式
- C8H10N2O2
- 分子量
- 166.18
名称と別名
名称をさらに表示
データベース識別子
- CAS
5331-43-1- PubChem CID
- 79242
- DTXSID
DTXSID1047447- ChEMBL
CHEMBL3187376- UNII
- H7GM2H55TC
- EC Number
- 226-230-3
- Nikkaji
- J298.013D
物性
構造計算による物性
- XLogP
- 0.9
- 極性表面積
- 64.4 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 144
実験および物理化学的性質
物理化学的性質
- 融点
- 65 · 65-68 °C (lit.)
- 沸点
- 294.38 °C · 294.38°C (rough estimate)
- 比重(密度)
- 1.2265 · 1.2265 (rough estimate)
- 屈折率
- 1.618 · 1.6180 (estimate)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- DMSO、メタノール
- 外見
- 個体
- 酸解離定数(Pka)
- 10.56 · 10.56±0.20(Predicted)
- 色
- ベージュ
- 水溶解度
- 水(わずかに)、メタノール、DMSO に溶ける。
- BRN
- 1952982 · 1952982
- 主な用途
- ペプチド合成
- InChI
- 1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
- InChIKey
- RXUBZLMIGSAPEJ-UHFFFAOYSA-N
- SMILES
- NNC(=O)OCc1ccccc1
- CAS データベース
- 5331 · 5331-43-1(CAS DataBase Reference)
- NISTの化学物質情報
- Hydrazinecarboxylic acid, phenylmethyl ester(5331-43-1)
- EPAの化学物質情報
- Hydrazinecarboxylic acid, phenylmethyl ester (5331-43-1)
化学的性質
化学的特性LIGHT BEIGE SHINY FLAKES
安全と法規制
GHS分類
GHS Classification
Danger
H302 (44.2%): Harmful if swallowed [Warning Acute toxicity, oral];H318 (57%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (43%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H372 (43%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
P260, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P305+P354+P338, P317, P319, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 86 reports by companies from 6 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
Regulatory Information
Hydrazinecarboxylic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydrazinecarboxylic acid, phenylmethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
法規制情報
Regulatory Information
Hydrazinecarboxylic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydrazinecarboxylic acid, phenylmethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MV1724950
- hs_code
- 29280000
- risk_code
- 41
- 化審法
- (3)-4377
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Dam. 1
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Hydrazinecarboxylic acid, phenylmethyl ester: ACTIVE
応用分野
使用Benzyl Carbazate has been shown to prevent the occurrence of oligonucleosome-sized DNA fragmentation in the cell-free system.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
関連反応
関連ノート
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