기본 정보
- CAS
2832-19-1- 표준 SMILES
O=C(CCl)NCO- InChIKey
TXNSZCSYBXHETP-UHFFFAOYSA-N- 분자식
- C3H6ClNO2
- 평균 분자량
- 123.54 g/mol
- 단동위원소 질량
- 123.00870611
개요
2-chloro-N-(hydroxymethyl)acetamide is a member of acetamides.
이름 및 식별자
- 우선 이름
- N-Methylol-alpha-chloroacetamide
- IUPAC
- 2-chloro-N-(hydroxymethyl)acetamide
- 현지명
- 2-클로로-N-(히드록시메틸)아세트아미드
- 영어명
- N-Methylolchloroacetamide
- 분자식
- C3H6ClNO2
- 분자량
- 123.54
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2832-19-1- PubChem CID
- 62466
- DTXSID
DTXSID2041412- ChEMBL
CHEMBL3184823- ChEBI
CHEBI:232412- UNII
- 20J873AX6G
- EC Number
- 220-598-9
- Nikkaji
- J7.919G
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 49.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 66
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 100 · 100-105 °C(lit.)
- 끓는 점
- 374 · 374.0±27.0 °C(Predicted)
- 밀도
- 1.2776 · 1.2776 (rough estimate)
- 굴절률
- 1.5 · 1.5000 (estimate)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 12.63 · 12.63±0.46(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 물에 매우 잘 녹습니다. 지방족 탄화수소에는 잘 녹지 않습니다.
- 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
- EPA
- 2 · 2-Chloro-N-(hydroxymethyl)acetamide (2832-19-1)
화학적 성질
White or almost white crystalline powder
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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
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]
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AB5733000
- ridadr
- UN 3261 8/PG 2
- HS 번호
- 29241990
- risk_code
- 34-43-40-20/21/22
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- 포장분류
- Ⅱ
- 위험 등급
- 8
- 기존화학 물질
- KE-05702
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
Uses
Used as a preservative in glues, metalworking fluids (MWF), and spin-finishes applied to nylon; [Kanerva, p. 406]
Metal Machining [Category: Heat or Machine]
응용 분야
용도N-Methylolchloro-acetamide is a preservative in cooling fluids and cosmetics.
일반 설명2-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.
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