CAS 753-89-9 1-Chloro-2,2-dimethylpropane (HCID 12956)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 753-89-9
표준 SMILES: CC(C)(C)CCl
InChIKey: JEKYMVBQWWZVHO-UHFFFAOYSA-N
분자식: C5H11Cl
평균 분자량: 106.59 g/mol
단동위원소 질량: 106.054928

개요

structure in first source

이름 및 식별자

우선 이름: 1-Chloro-2,2-dimethylpropane
IUPAC: 1-chloro-2,2-dimethylpropane
현지명: 클로로디메틸프로판
영어명: 1-CHLORO-2,2-DIMETHYLPROPANE
분자식: C5H11Cl
분자량: 106.59

이름 및 동의어

1-Chloro-2,2-dimethylpropane753-89-9Neopentyl chloridePropane, 1-chloro-2,2-dimethyl-J3J2EQV2JRDTXSID7061069RefChem:75324DTXCID8047767212-040-8neo-PentylchlorideMFCD00000941t-C4H9CH2Cl

이름 더 보기

네오페닐클로라이드클로로디메틸프로판네오페닐 클로라이드neo-Pentylchloride,98+%Pentylchloridecolorlessliq1-chloro-2,2-dimethyl-propanpropane,1-chloro-2,2-dimethyl-1-Chloro-2,2-dimethylpropane >1-Chloro-2，2-dimethylpropane,0.95

2,2-Dimethylpropyl ChlorideEINECS 212-040-81-chloro-2,2-diSCHEMBL1722981-chloro-2,2-dimethyl-propaneAKOS009158972SY048171D89303

데이터베이스 식별자

CAS: 753-89-9
PubChem CID: 12956
DTXSID: DTXSID7061069
UNII: J3J2EQV2JR
EC Number: 212-040-8
Nikkaji: J6.965E

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 33.7

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid with a sweet odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 20 °C · −20 °C(lit.)
끓는 점: 84 · 84-85 °C(lit.)
밀도: 0.866 g/mL · 0.866 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4039(lit.)
인화점: 16 °F · 16 °F
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 액체
Specific Gravity: 0.866 · 0.866
색상: 무색의
수용성: 유기용매와 섞일 수 있음. 물과 섞이지 않습니다.
BRN: 1730985 · 1730985
InChI: 1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3
InChIKey: JEKYMVBQWWZVHO-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 6.4% (3 of 47) of reports.

Danger

H225 (93.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, 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 InformationChemical: Propane, 1-chloro-2,2-dimethyl-

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 1-Chloropropane.

Hazard Classes and CategoriesFlam. Liq. 2 (93.6%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
HS 번호: 2903190090
risk_code: 11-22-43
hazard_code: F,Xn
safety_code: 16-36/37
포장분류: II
위험 등급: 3
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 2Resp. Sens. 1Skin Sens. 1

화학 및 산업

용도 및 제조

General Manufacturing InformationPropane, 1-chloro-2,2-dimethyl-: ACTIVE

응용 분야

용도1-Chloro-2,2-dimethylpropane is used as a reactant in the SN2 reaction for alkyl chlorides with Cl-; IMOMO(Integrated MO MO) method for large systems.