2-Chlorobenzamide (HCID 69111)

名称と識別子

優先名称: 2-Chlorobenzamide
IUPAC: 2-chlorobenzamide
現地名: 2-クロロベンズアミド
英語名: 2-Chlorobenzamide
分子式: C7H6ClNO
分子量: 155.58

名称と別名

2-Chlorobenzamide609-66-5o-ChlorobenzamideBenzamide, 2-chloro-Benzamide, o-chloro-DTXSID3052278KE1M5I9I32NSC-406895DTXCID7030850RefChem:470380210-195-6MFCD00007973

名称をさらに表示

2-クロロベンズアミドo-クロロベンズアミド2-クロロベンゼンカルボアミド2-クロロベンズアミド塩化物モノクロルベンズアミド2-Chlorbenzamido-chloro-benzamid2-chloro-benzamidO-CHLORO-BENZAMIDEBenzamide, o-chloroTIMTEC-BB SBB0040232-Chlorobenzamide,98%2-Chlorobenzamide >

EINECS 210-195-6NSC 406895BRN 0508510chlorobenzamideUNII-KE1M5I9I32AI3-09664dichlobenil TP3M01 2-chlorobenzamide

データベース識別子

CAS: 609-66-5
PubChem CID: 69111
DTXSID: DTXSID3052278
ChEMBL: CHEMBL3561242
UNII: KE1M5I9I32
EC Number: 210-195-6
Nikkaji: J29.503E

物性

構造計算による物性

XLogP: 0.6
極性表面積: 43.1 Å²
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: 1
重原子数: 10
形式電荷: 0
複雑度: 138

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

LogP0.94

物理化学的性質

融点: 142 · 142-144 °C(lit.)
沸点: 275 · 275.0±23.0 °C(Predicted)
比重(密度): 1.2187 · 1.2187 (rough estimate)
屈折率: 1.5618 · 1.5618 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 15.36 · 15.36±0.50(Predicted)
色: White to Almost white
BRN: 508510 · 508510
InChI: 1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKey: RBGDLYUEXLWQBZ-UHFFFAOYSA-N
SMILES: NC(=O)c1ccccc1Cl
CAS データベース: 609 · 609-66-5(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Chlorobenzamide (609-66-5)

化学的性質

化学的特性The substance is an almost white crystalline powder that can be dissolved in solvents such as benzene and toluene.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P320, 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 48 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

Regulatory Information · 4 件

Chemical: Benzamide, 2-chloro-

Commission Regulation No 844/2012

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 03-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6240

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 1
tsca: TSCA listed
rtecs: CV2443737
hs_code: 2924297099
risk_code: 22-36/37/38-20/22
化審法: (3)-1430
hazard_code: Xn
safety_code: 36-37/39-26
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 13 - Non Combustible Solids

化学と産業

用途と製造

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing InformationBenzamide, 2-chloro-: INACTIVE

応用分野 · 2 件

使用2-Chlorobenzamide is used to synthesize chlortetracycline and o-chlorobenzoyl isocyanate, which is an intermediate in chlortetracycline synthesis.

一般的な説明2-Chlorobenzamide is the major degradation product of CCU (1-(2-chlorobenzoyl)-3-(4-chlorophenyl) urea), a new insect growth regulator. It undergoes room temperature Pd-mediated hydrodehalogenations with KF and polymethylhydrosiloxane (PMHS) to yield benzamide. t undergoes reduction with NaBH4 in diglyme at 162°C to yield 2-chlorobenzonitrile.