기본 정보
- 표준 SMILES
O=C(O)C(O)CCl- InChIKey
OSLCJYYQMKPZHU-UHFFFAOYSA-N- 분자식
- C3H5ClO3
- 평균 분자량
- 124.52 g/mol
- 단동위원소 질량
- 123.9927217
개요
3-chlorolactic acid is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is replaced by a chloro group. It is an organochlorine compound and a 2-hydroxy monocarboxylic acid. It is functionally related to a rac-lactic acid.
이름 및 식별자
- 우선 이름
- Chlorolactic acid
- IUPAC
- 3-chloro-2-hydroxypropanoic acid
- 현지명
- 베타-클로로락틱산
- 영어명
- beta-Chlorolactic acid
- 분자식
- C3H5ClO3
- 분자량
- 124.52
이름 및 동의어
1713-85-5Propanoic acid, 3-chloro-2-hydroxy-3-ChlorolactateM4Y6UA6H9UDTXSID108837453-chloro lactateRefChem:500494DTXCID50223767Chlorolactic acid3-Chloro-2-hydroxypropanoic acidbeta-Chlorolactic acid3-Chlorolactic acid
이름 더 보기
베타-클로로락틱산DL-3-ChlBETA-CHLOROACETATEBETA-CHLOROLACTATEβ-chlorolactic acidChloroLacticAcid,B-B-chlorolactic acidβ-Chlorolactic AcidSODIUM3-CHLOROLACTATE(S)-BETA-CHLOROLACTATE
3-Chloro-2-hydroxypropionic acid(+/-)-3-chlorolactic acidMFCD000465233-CHLORO-2-HYDROXY PROPANOIC ACID74792-92-0DL-3-Chlorolactic AcidUNII-M4Y6UA6H9U3-Chloro-2-hydroxypropanoicacid
데이터베이스 식별자
- CAS
1713-85-5- PubChem CID
- 92899
- DTXSID
DTXSID10883745- ChEBI
CHEBI:77855- UNII
- M4Y6UA6H9U
- EC Number
- 216-993-0
- Nikkaji
- J203.107H
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 72.6
물리화학적 성질
- 녹는점
- 77 °C · 77 °C
- 끓는 점
- 259.5 · 259.5±20.0 °C(Predicted)
- 밀도
- 1.519 · 1.519±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- Chloroform (Very Slightly), DMSO (Slightly), Methanol (Sparingly)
- 산도 계수 (pKa)
- 3.23 · 3.23±0.11(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)
- InChIKey
- OSLCJYYQMKPZHU-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(O)CCl
- EPA
- 3 · 3-Chlorolactic acid (1713-85-5)
화학적 성질
White Solid
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1759
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanoic acid, 3-chloro-2-hydroxy-: INACTIVE
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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추가 설명
정의ChEBI: 3-chlorolactic acid is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is replaced by a chloro group. It is a 2-hydroxy monocarboxylic acid and an organochlorine compound. It is functionally related to a rac-lactic acid.
관련 반응
12건
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