기본 정보
- 표준 SMILES
COC(=O)C(C)Cl- InChIKey
JLEJCNOTNLZCHQ-UHFFFAOYSA-N- 분자식
- C4H7ClO2
- 평균 분자량
- 122.55 g/mol
- 단동위원소 질량
- 122.01345714
개요
Methyl 2-chloropropionate appears as a colorless liquid. Insoluble in water. Irritating and narcotic in high concentrations. Used as a solvent and for making other chemicals and dyes.
이름 및 식별자
- 우선 이름
- Methyl 2-chloropropionate
- IUPAC
- methyl 2-chloropropanoate
- 현지명
- 모노클로로프로피온산 메틸
- 영어명
- Methyl 2-chloropropionate
- 분자식
- C4H7ClO2
- 분자량
- 122.55
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
17639-93-9- PubChem CID
- 28659
- DTXSID
DTXSID60864786- UNII
- FDN17EXK1J
- EC Number
- 241-624-5
- Nikkaji
- J34.936D
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 72.1
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -10 °C · -10 °C
- 끓는 점
- 132 · 132-133 °C(lit.)
- 밀도
- 1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
- 증기 밀도
- 4.22 · 4.22 (vs air)
- 증기압
- 5.25 mm · 5.25 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.417(lit.)
- 인화점
- 101 °F · 101 °F
- 저장 조건
- 5 °C · Store at +5°C to +30°C.
- 용해도
- 클로로포름, 아세트산에틸(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 투명한 액체
- Specific Gravity
- 1.075 · 1.075
- 색상
- 무색 내지 거의 무색
- 수소이온지수(pH)
- 6 · 6-7 (H2O, 20℃)
- 폭발한계
- 2.8 · 2.8-13.9%(V)
- 수용성
- 섞일 수 없음
- BRN
- 1421535 · 1421535
- 안정성
- 안정적인. 가연성. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3
- InChIKey
- JLEJCNOTNLZCHQ-UHFFFAOYSA-N
- SMILES
- ClC(C)C(=O)OC
- NIST
- 2 · Methyl 2-chloropropionate(17639-93-9)
- EPA
- 2 · Propanoic acid, 2-chloro-, methyl ester (17639-93-9)
화학적 성질
clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 91 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 2-chloro-, methyl ester
Status: Active Update: 09-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5504
Methyl 2-chloropropionate: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Reactivity Profile
METHYL 2-CHLOROPROPIONATE is a halogenated ester. Reacts with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Reacts exothermically with bases. Flammable hydrogen is generated with alkali metals and hydrides.
DOT Hazard Classification
Methyl 2-chloropropionate
UN2933
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquids - Category 3
Flammable agents - 3rd degree
안전 및 보호
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UE9100000
- ridadr
- UN 2933
- HS 번호
- 29159080
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39-16
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-05875
- 자연 발화 온도
- 430 °C DIN 51794
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
용도Methyl 2-chloropropionate is used as initiator during the synthesis of acrylamide homopolymers and acrylamide-N-isopropylacrylamide block copolymers. It is also used to produce 2-thiophen-2-yl-propionic acid methyl ester.
일반 설명A colorless liquid. Flash point 101°F. Density 8.9 lb / gal. Insoluble in water. Irritating and narcotic in high concentrations. Used as a solvent and for making other chemicals and dyes.
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