클로로-2-메틸-2-페닐프로판

네오필클로라이드 · 클로로-2-메틸-2-페닐프로판 · 네오필 클로라이드 · -2-phenyL · 3-Phenyl propane · NEOPHYL CHLORIDE · Neophylchloride,98% · tert-Butylchlorobenzene

식별자 및 물리적 특성

CAS No.	515-40-2
분자식	C10H13Cl
평균 분자량	168.66 g/mol
단동위원소 질량	168.0705781 g/mol
SMILES	CC(C)(CCl)c1ccccc1
InChIKey	DNXXUUPUQXSUFH-UHFFFAOYSA-N
PubChem CID	68191
ChEMBL	CHEMBL3185006
EC No.	208-197-7
DTXSID	DTXSID8027167
현지명	클로로-2-메틸-2-페닐프로판

XLogP	4.2
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	112
SpringerMaterials Properties	Optical coefficient
녹는점	36°C (estimate)
끓는 점	95-96 °C/10 mmHg (lit.)
밀도	1.047 g/mL at 25 °C (lit.)
증기압	11.1Pa at 25℃
굴절률	n20/D 1.524(lit.)
인화점	198 °F
저장 조건	Inert atmosphere,Room Temperature
물리적 상태	액체
색상	무색투명~미황색
용해도	불용성
Merck	14,6459
BRN	2042085
헨리 상수	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(분배 계수)	4.16
NIST	1-Chloro-2-methyl-2-phenylpropane(515-40-2)
EPA	Benzene, (2-chloro-1,1-dimethylethyl)- (515-40-2)

clear colorless to slighlty yellow liquid

GHS 분류	WarningH315 (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.
규제 정보	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 Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29036990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
기존화학 물질	KE-05624
저장 분류	10 - Combustible liquids

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