3-Chloropropionyl chloride (HCID 69364)

이름 및 식별자

우선 이름: 3-Chloropropionyl chloride
IUPAC: 3-chloropropanoyl chloride
현지명: 3-클로로프로피온산 클로라이드
영어명: 3-Chloropropionyl chloride
분자식: C3H4Cl2O
분자량: 126.97

이름 및 동의어

3-Chloropropionyl chloride3-Chloropropanoyl chloridePropanoyl chloride, 3-chloro-3-Chloropropionic acid chlorideUNII-24PO18998IEINECS 210-890-4NSC-84180betachloropropionyl chloride24PO18998IDTXSID5060801beta-Chloropropionic acid chlorideEC 210-890-4

이름 더 보기

3-클로로프로피오닐클로라이드3-클로로프로피온산클로라이드Chloropropionyl chlorideoropropionyL3-Chloropropionyl ch3-Chlorpropionylchlorid-Chloropropanoylchloride3-Chloropropinyl chloride3-chloro-propanoylchlorid3'ChloropropionylChloride

(CHLOROMETHYL)ACETYL CHLORIDE.beta.-Chloropropionic acid chloride.OMEGA.-CHLOROPROPANOYL CHLORIDE.OMEGA.-CHLOROPROPIONYL CHLORIDEPROPANOIC ACID,3-CHLORO,CHLORIDEBETA.-CHLOROPROPIONIC ACID CHLORIDERefChem:935343Chloropropanoyl chloride

데이터베이스 식별자

CAS: 625-36-5
PubChem CID: 69364
DTXSID: DTXSID5060801
UNII: 24PO18998I
EC Number: 210-890-4
Nikkaji: J501K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 52.8

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: -32 °C · -32 °C
끓는 점: 143 · 143-145 °C(lit.)
밀도: 1.33 g/mL · 1.33 g/mL at 25 °C(lit.)
증기압: 10 hPa · 10.0 hPa
굴절률: 20 · n20/D 1.457(lit.)
인화점: 146 °F · 146 °F
저장 조건: Flammables area
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 액체
색상: 적갈색
수소이온지수(pH): 7 · <7 (H2O)
폭발한계: 8.8 · 8.8-20.2%(V)
수용성: 물과 반응
BRN: 635814 · 635814
안정성: 수분에 민감한
InChI: 1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2
InChIKey: INUNLMUAPJVRME-UHFFFAOYSA-N
NIST: 3 · Propanoyl chloride, 3-chloro-(625-36-5)
EPA: 3 · Propanoyl chloride, 3-chloro- (625-36-5)

화학적 성질

Clear colorless to dark brown liquid. Soluble in ethanol, ether and chloroform. Slightly soluble in water.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (68.9%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 180 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Propanoyl chloride, 3-chloro-

Status: Active Update: 06-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16338

3-Chloropropionyl chloride: HSNO Approval: HSR004261 Approved with controls

Hazards Summary · 1건

Reacts violently with water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by inhalation; Harmful by ingestion; [Sigma-Aldrich MSDS] See Chloropivaloyl chloride and Trimethylacetyl chloride.

Hazard Classes and CategoriesMet. Corr. 1 (68.9%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

Toxicity DataLC50 (rat) = 1,000 mg/m3/1hr

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: UN 3390 6.1/PG 1
HS 번호: 29159080
risk_code: 14-22-26-34-35-10
hazard_code: T+
safety_code: 23-26-36/37/39-45-38-16-8
포장분류: I
위험 등급: 6.1
기존화학 물질: KE-05881
F 고인화성물질: 21
자연 발화 온도: 460°C
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 6.1A - Combustible, acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanoyl chloride, 3-chloro-: ACTIVE

응용 분야 · 2건

개요3-Chloropropionyl chloride is an important bifunctional reagent. It is capable of acylation and possesses a 2-chloro-ethyl fragment (CH2CH2Cl), which can be subjected to nucleophilic substitution and serves as a masked vinyl group. It can be used as a starting material in many reactions to construct a variety of (hetero)cyclic compounds.

용도3-Chloropropionyl chloride is a reagent used in the synthesis of Beclamide (B119400), which is a chlorinated benzylpropanamide used as an anticonvulsant drug. It is used in the treatment of tonic-clonic seizyres and has sedative properties.

제조 방법 · 1건

3-Chloropropionyl chloride (1) is commercially available and can be prepared from β-propiolactone (2) and thionyl chloride.1 Other standard methods available for the preparation of acyl chlorides can also be applied: the reaction of acrylic acid (3) or 3-chloropropionic acid (4) with thionyl chloride, phosphoryl chloride, phosgene, or phosphorus trichloride.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

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3-클로로프로피온산 클로라이드

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