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2-Chloropropionic acid, (+)-

HCID 2724540
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-UWTATZPHSA-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
2-Chloropropionic acid, (+)-
IUPAC
(2R)-2-chloropropanoic acid
영어명
(R)-(+)-2-Chloropropionic acid
분자식
C3H5ClO2
분자량
108.52

이름 및 동의어

7474-05-7(R)-(+)-2-Chloropropionic acid(2R)-2-chloropropanoic acidD-2-Chloropropionic acid2-Chloropropionic acid, (+)-F60ST8319RPropanoic acid, 2-chloro-, (R)-(+)-2-Chloropropanoic acidD-Chloropropionic acidD-2-Chloropropanoic acidPropionic acid, 2-chloro-, D-(2R)-2-CHLOROPROPIONIC ACID
이름 더 보기
(R)-(+)-2-ChLD-Chloropropionic AciR-2-CHLOROPROPIONIC ACID(R)-2-ChloropropanoicAciD-(A)-CHLOROPROPIONIC ACID(+)-2-Chloropropionic acidD-ALPHA-CHLOROPROPIONIC ACID
(R)-.ALPHA.-CHLOROPROPIONIC ACID(+)-.ALPHA.-CHLOROPROPANOIC ACID.ALPHA.-CHLOROPROPIONIC ACID, (+)-RefChem:470500(R)-alpha-Chloropropionic acid(+)-ALPHA-CHLOROPROPANOIC ACIDALPHA-CHLOROPROPIONIC ACID, (+)-626-432-5

데이터베이스 식별자

CAS
28554-00-9、7474-05-7
PubChem CID
2724540
DTXSID

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

SpringerMaterials PropertiesOptical coefficient
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
-12 °C · -12°C
끓는 점
185 · 185-188 °C (lit.)
밀도
1.258 g/mL · 1.258 g/mL at 20 °C (lit.)
굴절률
20 · n20/D 1.4345(lit.)
인화점
140 °F · 140 °F
저장 조건
20 °C · −20°C
용해도
클로로포름, 메탄올에 용해됨
산도 계수 (pKa)
2.96 · 2.96±0.10(Predicted)
물리적 상태
투명한 액체
색상
무색 내지 거의 무색
BRN
1720258 · 1720258
InChI
1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1
InChIKey

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

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

(R)-(+)-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 · 1건

용도(R)-(+)-2-Chloropropionic acid can be used as a starting material in the synthesis of: Thiolactic acid, a key intermediate, which is used for the preparation of 2(R),5(S)-oxathiolanones by reacting with pivalaldehyde. (R)-2-chloropropionyl chloride, a key intermediate, which is utilized in the synthesis of (R)-4,5-dihydro-5-methylpyridazin-3(2H)-one derivative with pyrazolopyridine ring as a potential phosphodiesterase inhibitor. 2-Chloropropionamide derivatives as protein disulfide isomerase (PID) inhibitors.

상·하류 제품 정보

상류 원료

2-Pentene, 4-chloro-[R,(+)]-2-클로로프로피온산에틸에스테르D-알라닌

하류 제품

(S)-(-)-2-Chloropropionic acid(R)-(-)-2-클로로프로판-1-올(S)-1-옥틴-3-올메틸알콜

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

관련 반응

4건
반응 기록 만들기
HRID 273152 반응식
HRID 273152반응물로uspto-grants-2008_11
HRID 708398 반응식
HRID 708398반응물로uspto-grants-2015_11
HRID 732064 반응식
HRID 732064반응물로uspto-grants-2009_09
HRID 2093363 반응식
HRID 2093363반응물로uspto-grants-2013_05

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
DTXSID801367586
UNII
F60ST8319R
EC Number
626-432-5
Nikkaji
J626B
GAWAYYRQGQZKCR-UWTATZPHSA-N
SMILES
C[C@@H](Cl)C(O)=O

화학적 성질

Colourless Oil

Air and Water ReactionsSoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

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
3
ridadr
UN 2511 8/PG 3
HS 번호
29159000
risk_code
22-35
hazard_code
C
safety_code
23-26-28-36-45
포장분류
III
위험 등급
8
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1Skin Corr. 1A
스토리지 클래스
8A - Combustible corrosive hazardous materials
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