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(S)-(-)-2-Chloropropionic acid

HCID 107915
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
28554-00-9
표준 SMILES
C[C@H](Cl)C(=O)O
InChIKey
GAWAYYRQGQZKCR-REOHCLBHSA-N
분자식
C3H5ClO2
평균 분자량
108.52 g/mol
단동위원소 질량
107.99780708

개요

Chloropropionic acid appears as a colorless to white colored crystalline solid. Denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

이름 및 식별자

우선 이름
(S)-(-)-2-Chloropropionic acid
IUPAC
(2S)-2-chloropropanoic acid
영어명
(S)-(-)-2-Chloropropionic acid
분자식
C3H5ClO2
분자량
108.52

이름 및 동의어

29617-66-1(S)-(-)-2-Chloropropionic acid(S)-2-Chloropropanoic acid(2S)-2-chloropropanoic acid(S)-2-Chloropropionic acidPropanoic acid, 2-chloro-, (2S)-L-2-Chloropropanoic acidL-2-Chloropropionic acidalpha-L-Chloropropionic acid(2S)-Chloropropanoic acid2(S)-Chloropropionic acid(-)-2-Chloropropionic acid
이름 더 보기
2-CHLOROPROPANOIC ACIDL-CPAL-α-Chloropropionic acid)-2-Chlo(S)-()-2-Chlo(s)-propanoicaciL-2-CHLOROPROPINONICALS-(-)-2-ChloropropanoicS-2-Chlorpropionic acid
MFCD00064205(S)-(-)-2-Chloropropanoic acidPropanoic acid, 2-chloro-, (S)-2-Chloropropionic acid, (-)-Propionic acid, 2-chloro-, L-PCC7J322CM(S)-alpha-chloropropanoic acid(S)-alpha-chloropropionic acid

데이터베이스 식별자

CAS
28554-00-9、29617-66-1

물성

구조 계산 물성

XLogP
0.8
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
6
형식 전하
0
복잡도
61.8

실험 및 물리화학적 성질

Physical Description · 1건

Chloropropionic acid appears as a colorless to white colored crystalline solid. Denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

물리화학적 성질

녹는점
4 °C · 4 °C
끓는 점
77 °C/10 · 77 °C/10 mmHg (lit.)
밀도
1.249 g/mL · 1.249 g/mL at 25 °C (lit.)
증기압
5 hPa · 5hPa at 20℃
굴절률
20 · n20/D 1.436
인화점
140 °F · 140 °F
저장 조건
2 · 2-8°C
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
산도 계수 (pKa)
2.83 · 2.83(at 25℃)
물리적 상태
액체
색상
맑은 연한 노란색
수용성
녹는
BRN
1720257 · 1720257
InChI
1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
InChIKey

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Danger

H302+H312 (86.4%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 3건

Chemical: Propanoic acid, 2-chloro-, (S)-

Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9643

(S)-(-)-2-Chloropropionic acid: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1건

A halogenated organic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

화학 및 산업

응용 분야 · 3건

개요(S)-2-chloropropanoic acid is a monocarboxylic acid that is propanoic acid substituted at position 2 by a chloro group (the S-enantiomer). It has a role as a neurotoxin. It is a monocarboxylic acid and a chlorocarboxylic acid. It is functionally related to propionic acid. It is a conjugate acid of a (S)-2-chloropropanoate.

용도Through the stereo displacement of (S)-(-)-2-Chloropropionic acid PPAR Agonist can be synthesized via asymmetric hydrogenation of a cinnamic acid derivative.

일반 설명2-Chloropropionic acid is an essential raw material for synthesising pesticides, dyes and medicines. Its application involves many sectors of the national economy and people's daily lives. It is an essential fine chemical product. In particular, (S)-(-)-2-Chloropropionic acid is a crucial intermediate for synthesising highly efficient and low-toxic aromatic oxygen propionic acid herbicides. For example, it can be used to synthesize (R)-2-(4-hydroxyphenoxy) propionic acid (ester) intermediates, fenthionyl, fenthionyl, fenthionyl, etc. At present, the preparation methods of (S)-(-)-2-chloropropionic acid and (R)-(+)-2-chloropropionic acid include: (1) chemical resolution method; (2) bioenzymatic resolution method; (3) chromatographic resolution method; (4) asymmetric synthesis method, etc.

상·하류 제품 정보

상류 원료

Propanal, 2-chloro-, (2R)- (9CI)(R)-(+)-2-Chloropropionic acid모노클로로프로피온산 메틸

하류 제품

(R)-(+)-2-벤질록시프로피온산

공급사100 곳

관련 반응

2건
반응 기록 만들기
HRID 708402 반응식
HRID 708402반응물로uspto-grants-2015_11
HRID 922772 반응식
HRID 922772반응물로uspto-grants-2016_03

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
PubChem CID
107915
DTXSID
DTXSID50896915
ChEBI
CHEBI:73956
UNII
PCC7J322CM
EC Number
411-150-5、608-381-0
Nikkaji
J669F
GAWAYYRQGQZKCR-REOHCLBHSA-N
SMILES
C[C@H](Cl)C(O)=O
LogP
0.82 at · 0.82 at 20.5℃
NIST
-2 · (S)-(-)-2-chloropropionic acid(29617-66-1)

화학적 성질

Colourless Oil

Air and Water ReactionsSoluble in water.
Hazard Classes and Categories · 4건

Acute Tox. 4 (100%)

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

안전 및 보호

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

안전 데이터

wgk
1
rtecs
UA2451950
ridadr
UN 2511 8/PG 3
HS 번호
29159080
risk_code
21/22-35-48/22
hazard_code
C
safety_code
23-26-28-36/37/39-45
포장분류
III
위험 등급
8
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1ASTOT RE 2
스토리지 클래스
8A - Combustible corrosive hazardous materials
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추가 설명

정의ChEBI: A monocarboxylic acid that is propanoic acid substitued at position 2 by a chloro group (the S-enantiomer).