3-Chloro-2-butanone (HCID 20026)

이름 및 식별자

우선 이름: 3-Chloro-2-butanone
IUPAC: 3-chlorobutan-2-one
현지명: 3-클로로-2-부타논
영어명: 3-Chloro-2-butanone
분자식: C4H7ClO
분자량: 106.55

이름 및 동의어

3-CHLORO-2-BUTANONE4091-39-82-Butanone, 3-chloro-2-Chloro-3-butanoneEINECS 223-834-9DTXSID00863319EC 223-834-9RefChem:93390DTXCID40811955OIMRLHCSLQUXLL-UHFFFAOYSA-N3-Chlorobutan-2-one1-Acetyl-1-chloroethane

이름 더 보기

3-클로로-2-부타논3-CL-MEKchloro-mekChlorobutanoneoro-2-butanone2-Chlorobutanone3-Chlorbutan-2-on

3-Chlorobutanone1-Chloroethyl methyl ketoneMFCD000008653-chloro-butan-2-one2-Butanone, 3-chloro-, (+)-3-chloro-2-butanon3-chlorobutan-2-onSCHEMBL197640

데이터베이스 식별자

CAS: 4091-39-8
PubChem CID: 20026
DTXSID: DTXSID00863319
EC Number: 223-834-9
Nikkaji: J97.981C

물성

구조 계산 물성

XLogP: 1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 60.6

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점: -60 °C · <-60°C
끓는 점: 114 · 114-117 °C (lit.)
밀도: 1.055 g/mL · 1.055 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.421(lit.)
인화점: 70 °F · 70 °F
저장 조건: Flammables area
용해도: 30 g/L · 30g/L
물리적 상태: 투명한 액체
Specific Gravity: 1.058 · 1.058 (20/4℃)
색상: Light orange to Yellow to Green
수소이온지수(pH): 2.4 · 2.4 (25g/l, H2O, 20℃)
폭발한계: 2.3 % · 2.3%(V)
수용성: 3 g/100mL · 3g/100mL
BRN: 385637 · 385637
Henry's Law Constant: 9.5 · 9.5×10-2 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: 1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3
InChIKey: OIMRLHCSLQUXLL-UHFFFAOYSA-N
SMILES: CC(Cl)C(C)=O
NIST: 2 · 2-Butanone, 3-chloro-(4091-39-8)
EPA: 2 · 2-Butanone, 3-chloro- (4091-39-8)

화학적 성질

CLEAR YELLOW TO BROWNISH LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Butanone, 3-chloro-

Status: Active Update: 21-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16212

3-Chloro-2-butanone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: EL7062000
ridadr: UN 1224 3/PG 3
HS 번호: 29147090
risk_code: 10-22-36/37/38-20/21/22-2011/10/22
hazard_code: Xn
safety_code: 16-36/37/39-26-24/25
포장분류: III
위험 등급: 3
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Butanone, 3-chloro-: ACTIVE

응용 분야 · 2건

용도3-Chloro-2-butanone was used in production of chiral alcohols from acetophenone derivatives, β-ketoesters and N-Boc-3-pyrrolidinone by recombinant E. coli cells. It was used in the synthesis of carbene precursor, 3-aryl-4,5-dimethylthiazolium chloride.

일반 설명3-Chloro-2-butanone reacts with 1,4-dianion of acetophenone N-ethoxycarbonylhydrazone to yield pyrazoline derivatives.

상·하류 제품 정보

하류 제품

공급사50 곳

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

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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

湖北万得化工有限公司15377098680 15377098680 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

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3-클로로-2-부타논

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