이소프로필이소시아네이트

이소시안산이소프로필에스테르 · 이소프로필이소시아네이트 · 아이소-프로필 아이소사이안산 · 2-Isocyanatopropane · i-pic · 2-PROPYLISOCYANATE · Isopropylisocyanat · 2-isocyanato-propan

https://huagongshe.com/ko/chemical/61277

식별자 및 물리적 특성

CAS No.	1795-48-8
분자식	C4H7NO
평균 분자량	85.1 g/mol
단동위원소 질량	85.05276385 g/mol
SMILES	CC(C)N=C=O
InChIKey	GSLTVFIVJMCNBH-UHFFFAOYSA-N
PubChem CID	61277
EC No.	217-276-5
DTXSID	DTXSID3061976
현지명	이소프로필이소시아네이트

화학 및 물리적 성질

XLogP	1.8
극성 표면적	29.4
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	6
형식 전하	0
복잡도	71
Physical Description	Isopropyl isocyanate appears as a colorless liquid with a pungent odor. Insoluble in water. Very toxic by ingestion and inhalation. Vapors are heavier than air. Used to make other chemicals.Colorless liquid with a pungent odor[CAMEO]
녹는점	<-75℃
끓는 점	74-75 °C(lit.)
밀도	0.866 g/mL at 25 °C(lit.)
굴절률	n20/D 1.382(lit.)
인화점	27 °F
저장 조건	2-8°C
용해도	에 용해됨클로로포름, 에틸아세테이트
물리적 상태	기름
색상	무색
용해도	불용성
BRN	969356
안정성	흡습성, 감광성, 수분 민감성, 휘발성
EPA	Propane, 2-isocyanato- (1795-48-8)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류	DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H260 (52.5%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases]H301 (20.2%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (53.5%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (98.5%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (23.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (98.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H330 (96%): Fatal if inhaled [Danger Acute toxicity, inhalation]H334 (27.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P223, P231+P232, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P335+P334, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P402+P404, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 198 reports by companies from 14 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.
Hazards Identification	Toxic/poison by inhalation (TIH/PIH)
규제 정보	Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22506The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
운송 라벨(DOT)	Poison Inhalation Hazard Flammable Liquid

용도

Isopropyl isocyanate is used as a reagent in the preparation of androgen receptor antagonist for prostate cancer treatment. It is also used in the synthesis of selective dual inhibitor of mammalian target of rapamycin (mTORC1 and mTORC2). Further, it serves as a reagent in the synthesis of O-aryl N-isopropylcarbamates. In addition to this, it is used as a derivatization reagent during the stereoisomeric analysis of secondary alcohols.

일반 설명

A colorless liquid with a pungent odor. Insoluble in water. Flash point near 60°F. Very toxic by ingestion and inhalation. Vapors are heavier than air. Used to make other chemicals.