클로로-2-메틸-2-페닐프로판

Neophyl chloride

HCID 68191CAS 515-40-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(CCl)c1ccccc1
InChIKey: DNXXUUPUQXSUFH-UHFFFAOYSA-N
분자식: C10H13Cl
평균 분자량: 168.66 g/mol
단동위원소 질량: 168.0705781

이름 및 식별자

우선 이름: Neophyl chloride
IUPAC: (1-chloro-2-methylpropan-2-yl)benzene
현지명: 클로로-2-메틸-2-페닐프로판
영어명: Neophyl chloride
분자식: C10H13Cl
분자량: 168.66

이름 및 동의어

Neophyl chloride515-40-21-Chloro-2-methyl-2-phenylpropane(2-Chloro-1,1-dimethylethyl)benzene2-Methyl-2-phenylpropyl chlorideBenzene, (2-chloro-1,1-dimethylethyl)-DTXSID8027167(.beta.-Chloro-tert-butyl)benzenebeta,beta-Dimethylphenethyl chlorideNSC 54159OF6E0410NF(beta-Chloro-tert-butyl)benzene

이름 더 보기

네오필클로라이드클로로-2-메틸-2-페닐프로판네오필 클로라이드-2-phenyL3-Phenyl propaneNeophylchloride,98%tert-ButylchlorobenzeneChloro-2-Methyl-2-phenylpβ-chloro-tert-butylbenzeneá-chloro-tert-butylbenzeneChlorinatedtertiaryDing JibenBETA-CHLORO-TERT-BUTYLBENZENE

EINECS 208-197-7NSC-54159NEOPHYL CHLORIDE [MI]DTXCID507167(beta-Chloro-alpha,alpha-dimethyl)ethylbenzeneRefChem:832343(2-Chloro-1,1-dimethylethyl) benzene208-197-7

데이터베이스 식별자

CAS: 515-40-2
PubChem CID: 68191
DTXSID: DTXSID8027167
ChEMBL: CHEMBL3185006
UNII: OF6E0410NF
EC Number: 208-197-7
Nikkaji: J6.294D

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 112

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 36 °C · 36°C (estimate)
끓는 점: 95 · 95-96 °C/10 mmHg (lit.)
밀도: 1.047 g/mL · 1.047 g/mL at 25 °C (lit.)
증기압: 11.1 Pa · 11.1Pa at 25℃
굴절률: 20 · n20/D 1.524(lit.)
인화점: 198 °F · 198 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
색상: 무색투명~미황색
수용성: 불용성
Merck: 14 · 14,6459
BRN: 2042085 · 2042085
Henry's Law Constant: 2 · 2.0×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey: DNXXUUPUQXSUFH-UHFFFAOYSA-N
SMILES: CC(C)(CCl)c1ccccc1
LogP: 4.16 · 4.16
NIST: 1 · 1-Chloro-2-methyl-2-phenylpropane(515-40-2)
EPA: Benzene, (2-chloro-1,1-dimethylethyl)- (515-40-2)

화학적 성질

clear colorless to slighlty yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Benzene, (2-chloro-1,1-dimethylethyl)-

T - indicates a substance that is the subject of a final TSCA section 4 test rule.

Status: Active Update: 02-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22688

(2-Chloro-1,1-dimethylethyl) benzene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29036990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-05624
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, (2-chloro-1,1-dimethylethyl)-: ACTIVE

응용 분야

용도2-Chloromethyl-2-phenylpropane is a byproduct in the synthesis of Ethophenprox (E936400), a pyrethroid derivative which is used as an insecticide.

상·하류 제품 정보

상류 원료

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하류 제품

산화 펜브타틴

공급사50 곳

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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]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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