CAS 2832-19-1 N-Methylol-alpha-chloroacetamide (HCID 62466)

概要

2-chloro-N-(hydroxymethyl)acetamide is a member of acetamides.

名称と識別子

優先名称: N-Methylol-alpha-chloroacetamide
IUPAC: 2-chloro-N-(hydroxymethyl)acetamide
現地名: 2-クロロ-N-(ヒドロキシメチル)アセトアミド
英語名: N-Methylolchloroacetamide
分子式: C3H6ClNO2
分子量: 123.54

名称と別名

2-Chloro-N-(hydroxymethyl)acetamide2832-19-1GrotaACETAMIDE, 2-CHLORO-N-(HYDROXYMETHYL)-N-Methylol-chloracetamideDTXSID204141220J873AX6GChloractamide-N-methololDTXCID0021412RefChem:575562n-methylol-alpha-chloroacetamide220-598-9

名称をさらに表示

2-クロロ-N-(ヒドロキシメチル)アセトアミドN-メチロールクロルアセトアミドN-(ヒドロキシメチル)-2-クロロアセトアミドパルメトールN-ヒドロキシメチルクロロアセトアミド2-クロロ-N-ヒドロキシメチルアセトアミドN-メチロールクロロアセトアミドN-(ヒドロキシメチル)クロロアセトアミドグロタンHDN-メチロ-ルクロロアセタミドN-ヒドロキシメチル-2-クロロアセトアミドN-ヒドロキシメチルクロルアセトアミドN-Methylol-α-chloroacetamideGrotan HDTIMTEC-BB SBB004273N-Methylolchloroacetoro-N-(hydroxymethyLMETHYLOLCHLOROACETAMIDE

N-Hydroxymethyl-2-chloroacetamideN-MethylolchloroacetamideChloracetamide-N-methanolChloracetamide-N-methololMFCD00021961NSC-9963N-hydroxymethylchloroacetamideGrotan DF-35

データベース識別子

CAS: 2832-19-1
PubChem CID: 62466
DTXSID: DTXSID2041412
ChEMBL: CHEMBL3184823
ChEBI: CHEBI:232412
UNII: 20J873AX6G
EC Number: 220-598-9
Nikkaji: J7.919G

物性

構造計算による物性

XLogP: -0.4
極性表面積: 49.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 66

実験および物理化学的性質

Chemical ClassesOther Uses -> Biocides/Disinfectants

物理化学的性質

融点: 100 · 100-105 °C(lit.)
沸点: 374 · 374.0±27.0 °C(Predicted)
比重(密度): 1.2776 · 1.2776 (rough estimate)
屈折率: 1.5 · 1.5000 (estimate)
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: DMSO（微量）、メタノール（微量）
酸解離定数(Pka): 12.63 · 12.63±0.46(Predicted)
外見: 個体
色: ホワイトからオフホワイト
水溶解度: 水に非常に溶けやすい。脂肪族炭化水素に溶けにくい。
BRN: 1811765 · 1811765
InChI: InChI=1S/C3H6ClNO2/c4-1-3(7)5-2-6/h6H,1-2H2,(H,5,7)
InChIKey: TXNSZCSYBXHETP-UHFFFAOYSA-N
SMILES: C(NCO)(=O)CCl
CAS データベース: 2832 · 2832-19-1(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Chloro-N-(hydroxymethyl)acetamide (2832-19-1)

化学的性質

化学的特性White or almost white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 20% (12 of 60) of reports.

Danger

H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 8 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

Chemical: Acetamide, 2-chloro-N-(hydroxymethyl)-

Acetamide, 2-chloro-N-(hydroxymethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards Summary · 1 件

A formaldehyde releaser, N-methylolchloroacetamide can cause allergic contact dermatitis in workers; It thus appears that most formaldehyde-releasers in MWF cannot be considered frequent and important contact allergens. [Kanerva, p. 407] Danger of skin sensitization; [MAK] Sensitizer in coolant oils & cosmetics; [ChemIDplus]

Hazard Classes and CategoriesSkin Corr. 1A (75%)

毒性情報

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

安全データ

wgk: 3
tsca: TSCA listed
rtecs: AB5733000
ridadr: UN 3261 8/PG 2
hs_code: 29241990
risk_code: 34-43-40-20/21/22
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: Ⅱ
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

Uses · 2 件

Used as a preservative in glues, metalworking fluids (MWF), and spin-finishes applied to nylon; [Kanerva, p. 406]

Metal Machining [Category: Heat or Machine]

General Manufacturing InformationAcetamide, 2-chloro-N-(hydroxymethyl)-: ACTIVE

応用分野 · 2 件

使用N-Methylolchloro-acetamide is a preservative in cooling fluids and cosmetics.

一般的な説明2-Chloro-N-(hydroxymethyl)acetamide (N-methylolchloracetamide) is a N-hydroxymethyl derivative of chloroacetamide. One of the method reported for its synthesis is by the reaction of 2-chloracetamide with formaldehyde. It has been reported to be a formaldehyde releaser and an infrequent sensitizer to formaldehyde contact allergy. Influence of short and prolonged exposure of 2-chloro-N-(hydroxymethyl)acetamide (as formaldehyde donor/releaser) on lymph node responses has been investigated. It has high biocide action and is utilized as preservative.