부틸(3차)아세틸클로라이드

3,3-Dimethylbutanoyl chloride

HCID 81514CAS 7065-46-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)CC(=O)Cl
InChIKey: BUTKIHRNYUEGKB-UHFFFAOYSA-N
분자식: C6H11ClO
평균 분자량: 134.6 g/mol
단동위원소 질량: 134.04984265

이름 및 식별자

우선 이름: 3,3-Dimethylbutanoyl chloride
IUPAC: 3,3-dimethylbutanoyl chloride
현지명: 부틸(3차)아세틸클로라이드
영어명: 3,3-Dimethylbutyryl chloride
분자식: C6H11ClO
분자량: 134.6

이름 및 동의어

7065-46-53,3-dimethylbutanoyl chlorideButanoyl chloride, 3,3-dimethyl-DTXSID4064557RefChem:1065631DTXCID5046724230-356-43,3-Dimethylbutyryl chloridetert-Butylacetyl chloridet-Butylacetyl chlorideMFCD00000737Butyryl chloride, 3,3-dimethyl-

이름 더 보기

Tert-뷰틸아세틸클로라이드부틸(3차)아세틸클로라이드Tert-뷰틸아세틸 클로라이드TBACAKOS BBS-000039283,3-DimethylbutyrylbutylacetylchlorideChloroacetoacetamidesDiMethylbutyryl chloridTer-butylacetyl chloride

tert-Butyl acetyl chloride3,3-Dimethylbutanoyl chloride; 3,3-Dimethylbutanoic acid chloride; 3,3-Dimethylbutyric acid chloride; 3,3-Dimethylbutyryl chloride; Tert-butylacetyl chloride; tert-Butylacetyl chlorideneohexanoyl chlorideEINECS 230-356-4t-butylacetylchloridetertbutylacetylchloridetert-butylacetylchloridetertbutylacetyl chloride

데이터베이스 식별자

CAS: 7065-46-5
PubChem CID: 81514
DTXSID: DTXSID4064557
EC Number: 230-356-4
Nikkaji: J208.115F

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 91.2

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 127 · 127-129 °C (lit.)
밀도: 0.969 g/mL · 0.969 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.421(lit.)
인화점: 70 °F · 70 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색투명~미황색
수용성: 물과 반응합니다.
BRN: 1740421 · 1740421
InChI: InChI=1S/C6H11ClO/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKey: BUTKIHRNYUEGKB-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CC(C)(C)C
NIST: tert-Butyl acetyl chloride(7065-46-5)
EPA: 3 · Butanoyl chloride, 3,3-dimethyl- (7065-46-5)

화학적 성질

Clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 21-03-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/12688

Butanoyl chloride, 3,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 2
HS 번호: 29159000
risk_code: 10-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 3
F 고인화성물질: 9-13-21
Hazard Classifications: Eye Dam. 1Flam. Liq. 2Skin Irrit. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationButanoyl chloride, 3,3-dimethyl-: INACTIVE

응용 분야

용도3,3-Dimethylbutyryl Chloride is a useful compound in organic synthesis.

상·하류 제품 정보

하류 제품

3,3-Dimethylbutylamine SPIROMESIFEN

공급사50 곳

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

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

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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