아일이소시아네이트

Allyl isocyanate

HCID 15123

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1476-23-9
표준 SMILES: C=CCN=C=O
InChIKey: HXBPYFMVGFDZFT-UHFFFAOYSA-N
분자식: C4H5NO
평균 분자량: 83.09 g/mol
단동위원소 질량: 83.03711378

개요

Allyl isocyanate is a member of isocyanates.

이름 및 식별자

우선 이름: Allyl isocyanate
IUPAC: 3-isocyanatoprop-1-ene
현지명: 아일이소시아네이트
영어명: ALLYL ISOCYANATE
분자식: C4H5NO
분자량: 83.09

이름 및 동의어

Allyl isocyanate1476-23-93-isocyanatoprop-1-ene1-Propene, 3-isocyanato-3-Isocyanato-1-propeneISOCYANIC ACID, ALLYL ESTERDK4CJU9MCXNSC-96964DTXSID8061719RefChem:110873DTXCID3034797629-197-7

이름 더 보기

아일이소시아네이트ALLYL ISOCYATEisocyanated’allyle3-isocyanato-1-propen1-propene,3-isocyanato-isocyanicacid,allylesterisocyanate isocyanate d'allyle

ALLylisoCYANATEPropene, 3-isocyanato-MFCD000020442-propenyl isocyanateNSC 96964BRN 0506106prop-2-enisocyanateUNII-DK4CJU9MCX

데이터베이스 식별자

CAS: 1476-23-9
PubChem CID: 15123
DTXSID: DTXSID8061719
ChEBI: CHEBI:192403
UNII: DK4CJU9MCX
EC Number: 629-197-7
Nikkaji: J27.134I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 81.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesDielectric constant

물리화학적 성질

끓는 점: 87 · 87-89 °C(lit.)
밀도: 0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.417(lit.)
인화점: 110 °F · 110 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
Specific Gravity: 0.94 · 0.94
색상: 노란색
수용성: 물에서 가수분해됩니다.
BRN: 506106 · 506106
InChI: 1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2
InChIKey: HXBPYFMVGFDZFT-UHFFFAOYSA-N
SMILES: C=CCN=C=O
EPA: 1 · 1-Propene, 3-isocyanato- (1476-23-9)

화학적 성질

Colorless liquid, turns yellow on standing. Combustible.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (90.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (90.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: NQ8175000
ridadr: UN 3080 6.1/PG 2
독성: mouse,LD50,intravenous,18mg/kg (18mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03769,
HS 번호: 29291090
risk_code: 36/37/38-42-34-23/24/25-10-42/43
hazard_code: Xn,T
safety_code: 23-26-36/37/39-45
포장분류: III
위험 등급: 3
F 고인화성물질: 9-21-19
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Propene, 3-isocyanato-: ACTIVE

응용 분야

용도It finds its application in the synthesis, characterization of biodegradable dextran-allyl isocyanate-ethylamine/polyethylene glycol-diacrylate hydrogels and their in vitro release of albumin.

일반 설명The rate constants for the gas phase reactions of ozone, OH radical and NO(3) radical with allyl isocyanate (AIC) were studied.