Butanoyl chloride, 2-methyl-

HCID 93697CAS 57526-28-0

기본 정보

표준 SMILES: CCC(C)C(=O)Cl
InChIKey: XRPVXVRWIDOORM-UHFFFAOYSA-N
분자식: C5H9ClO
평균 분자량: 120.58 g/mol
단동위원소 질량: 120.03419259

이름 및 식별자

우선 이름: Butanoyl chloride, 2-methyl-
IUPAC: 2-methylbutanoyl chloride
영어명: DL-2-Methylbutyryl chloride
분자식: C5H9ClO
분자량: 120.58

이름 및 동의어

57526-28-0Butanoyl chloride, 2-methyl-(RS)-2-Methylbutyryl chlorideEINECS 260-787-3DTXSID70872039RefChem:571581DTXCID90819643260-787-32-Methylbutanoyl chloride2-Methylbutyryl chloridedl-2-Methylbutyryl chlorideDL-2-Methylbutyrylchloride

이름 더 보기

(+/-)-butanoylchlorid2-METHYLBUTYRYL HLORIDE2-METHYLBUTYROYL CHLORIDE2-Ethylpropanoyl chlorideDL-2-METHYLBUTYRL CHLORIDE2-Methylbutyrylchloride,99%

EthylmethylacetylchlorideDl-2-Methyl-Butyryl Chloride5856-79-1MFCD000417261217722-29-62-methyl-butyryl chloride2-Methylbutanoyl chloride #SCHEMBL505184

데이터베이스 식별자

CAS: 57526-28-0
PubChem CID: 93697
DTXSID: DTXSID70872039
EC Number: 260-787-3

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 70.5

물리화학적 성질

끓는 점: 117 · 117-121 °C (lit.)
밀도: 0.972 g/mL · 0.972 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.418(lit.)
인화점: 68 °F · 68 °F
저장 조건: Refrigerator (+4°C) + Flammables area
물리적 상태: 액체
색상: 무색투명~연황색
수용성: 물과 반응합니다.
NIST: Ethylmethylacetylchloride(57526-28-0)
EPA: 2 · Butanoyl chloride, 2-methyl- (57526-28-0)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (61.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P370+P378, P390, P403+P235, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 242 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 25-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20378

Hazard Classes and CategoriesFlam. Liq. 2 (61.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 2
HS 번호: 29130000
risk_code: 11-34
hazard_code: F,C
safety_code: 16-26-36/37/39-45
포장분류: II
위험 등급: 3

화학 및 산업

용도 및 제조

General Manufacturing InformationButanoyl chloride, 2-methyl-: ACTIVE

응용 분야

용도2-Methylbutyryl chloride was used in the synthesis of 2-methylbutyramide, N-((R,S)-2-methylbutanoyl)salicylhydrazide, 2-methyl-1-phenyl-1-butanone, 1,1-(1,3,7,9-tetrahydroxydibenzofuran-2,6-diyl)bis(2-methylbutan-1-one).

일반 설명2-Methylbutyryl chloride is an acid chloride. It has been reported to be synthesized from 2-methylbutyric acid and thionyl chloride.