N,N-Diphenylcarbamic chloride (HCID 65741)

概要

structure in first source

名称と識別子

優先名称: N,N-Diphenylcarbamic chloride
IUPAC: N,N-diphenylcarbamoyl chloride
現地名: ジフェニルカルバミン酸クロリド
英語名: Diphenylcarbamyl chloride
分子式: C13H10ClNO
分子量: 231.68

名称と別名

Diphenylcarbamyl chlorideDiphenylcarbamoyl chloride83-01-2Diphenylcarbamic chlorideDiphenylchloroformamideN,N-Diphenylcarbamic chlorideNSC-6788LJ209318B2DTXSID2058885RefChem:926506DTXCID7048324201-450-2

名称をさらに表示

ジフェニルカルバミン酸クロリドジフェニルカルバモイルクロリドジフェニルカルバミド酸クロリドN,N-ジフェニルクロロホルムアミドN,N-ジフェニルカルバミド酸クロリドN,N-ジフェニルカルバミン酸クロリド塩化ジフェニルカルバミルジフェニルカルバミルクロリド塩化N,N-ジフェニルカルバモイルβk-MMDMATIMTEC-BB SBB0007095-Methoxy-MethyloneDiphenylcarbamyl chlDIPHENYLUREA CHLORIDE

N,N-Diphenylcarbamoyl chlorideCarbamic chloride, diphenyl-N,N-Diphenylcarbamyl chlorideCarbamoyl chloride, diphenyl-MFCD00000633Carbamic chloride, N,N-diphenyl-chloro-N,N-diphenylamideNSC 6788

データベース識別子

CAS: 83-01-2
PubChem CID: 65741
DTXSID: DTXSID2058885
UNII: LJ209318B2
EC Number: 201-450-2
Nikkaji: J29.581G

物性

構造計算による物性

XLogP: 3.8
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 214

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionWhite solid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 83 · 83-85 °C
沸点: 207 °C · 207°C (rough estimate)
比重(密度): 1.1781 · 1.1781 (rough estimate)
屈折率: 1.633 · 1.6330 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: 有機溶剤：可溶
外見: 結晶性粉末
酸解離定数(Pka): -4.13 · -4.13±0.50(Predicted)
色: ベージュから灰緑色
水溶解度: 反応する
BRN: 515312 · 515312
InChI: 1S/C13H10ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey: XNBKKRFABABBPM-UHFFFAOYSA-N
SMILES: ClC(=O)N(c1ccccc1)c2ccccc2
CAS データベース: 83 · 83-01-2(CAS DataBase Reference)
NISTの化学物質情報: Diphenylcarbamoyl chloride(83-01-2)
EPAの化学物質情報: Carbamic chloride, diphenyl- (83-01-2)

化学的性質

化学的特性beige to grey-green crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 04-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20837

Diphenylcarbamyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Causes kidney and bladder changes in oral lethal-dose studies of rats; [RTECS] Corrosive; May cause skin sensitization; [Merck Index] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; May cause skin sensitization; [Sigma-Aldrich MSDS] See Dimethyl carbamoyl chloride. Search for (83-01-2[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]

Hazard Classes and CategoriesSkin Corr. 1B (100%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk: 3
tsca: TSCA listed
rtecs: EY5065000
ridadr: UN 3261 8/PG 2
hs_code: 29242995
risk_code: 34-43-29
hazard_code: C
safety_code: 26-36/37/39-45-28A
hazard_class: 8
packing_group: II
Hazard Classifications: Skin Corr. 1BSkin Sens. 1
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

UsesUsed as a reagent in synthetic organic chemistry; [Merck Index]

General Manufacturing InformationCarbamic chloride, N,N-diphenyl-: ACTIVE

応用分野 · 1 件

使用N,N-Diphenylcarbamyl Chloride (Temozolomide USP Related Compound C) is used in the production of a high performance polyamide used as an electrical switch for memory devices. Also used in the synthesis of modified oligoribonucleotides base pairs.