기본 정보
- CAS
918-84-3- 표준 SMILES
CCC(C)(Cl)CC- InChIKey
SGWJUIFOPCZXMR-UHFFFAOYSA-N- 분자식
- C6H13Cl
- 평균 분자량
- 120.62 g/mol
- 단동위원소 질량
- 120.0705781
이름 및 식별자
- 우선 이름
- Pentane, 3-chloro-3-methyl-
- IUPAC
- 3-chloro-3-methylpentane
- 현지명
- 3-클로로-3-메탄올
- 영어명
- 3-CHLORO-3-METHYLPENTANE
- 분자식
- C6H13Cl
- 분자량
- 120.62
이름 및 동의어
3-Chloro-3-methylpentane918-84-3Pentane, 3-chloro-3-methyl-DTXSID80238703RefChem:859896DTXCID90161194627-006-1Diethylmethylcarbinyl chloride3-chloro-3-methyl-pentaneMFCD000008193-Methyl-3-chloropentaneSCHEMBL665337
이름 더 보기
3-클로로-3-메탄올Pentane,3-chloro-3-methyl-3-Chloro-3-methylpentane 97%diethylmethylcarbinylchloride1-ethyl-1-methylpropylchloride
SCHEMBL78728611-Ethyl-1-methylpropyl chloride1-methyl-1-ethyl-propyl chloride3-Chloro-3-methylpentane, 97%AKOS015916539AS-88476SY293512
데이터베이스 식별자
- CAS
918-84-3- PubChem CID
- 136701
- DTXSID
DTXSID80238703- EC Number
- 627-006-1
- Nikkaji
- J101.079D
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 46
실험 및 물리화학적 성질
Kovats Retention Index
839；840；841
939；944；956
물리화학적 성질
- 녹는점
- -35.1 °C · -35.1°C (estimate)
- 끓는 점
- 115 · 115-116 °C/760 mmHg (lit.)
- 밀도
- 0.885 g/mL · 0.885 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.4211(lit.)
- 인화점
- 49 °F · 49 °F
- 물리적 상태
- liquid
- InChI
- 1S/C6H13Cl/c1-4-6(3,7)5-2/h4-5H2,1-3H3
- InChIKey
- SGWJUIFOPCZXMR-UHFFFAOYSA-N
- SMILES
- CCC(C)(Cl)CC
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- 포장분류
- II
- 위험 등급
- 3.1
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도3-Chloro-3-methylpentane(3C3MP) has structure similar to tertiary chloride groups which are formed as structural defects during the radical polymerization of vinyl chloride (VC). Therefore, 3C3MP is an ideal model compound to study if tertiary chloride defect present in commercial PVC can be active initiating species for metal-catalyzed living radical graft copolymerization. 3C3MP can also be used as a reactant to prepare chloro(1-ethyl-1-methylpropyl)magnesium (Grignard reagent), which is used in the Kumada–Tamao–Corriu coupling reaction.
상·하류 제품 정보
하류 제품
공급사15 곳
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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