ethyl N-carbonylcarbamate

HCID 300166CAS 19617-43-7

기본 정보

표준 SMILES: CCOC(=O)N=C=O
InChIKey: VMVZGGPZNHFGKS-UHFFFAOYSA-N
분자식: C4H5NO3
평균 분자량: 115.09 g/mol
단동위원소 질량: 115.02694302

이름 및 식별자

우선 이름: ethyl N-carbonylcarbamate
IUPAC: ethyl N-(oxomethylidene)carbamate
영어명: Ethoxycarbonyl isocyanate
분자식: C4H5NO3
분자량: 115.09

이름 및 동의어

ethyl N-carbonylcarbamateRefChem:596323626-050-9Ethoxycarbonyl isocyanate19617-43-7Ethyl isocyanatoformateEthyl N-(oxomethylene)carbamateethyl N-(oxomethylidene)carbamateCarbonisocyanatidic acid, ethyl esterethyl carbonisocyanatidateMFCD00011719Ethoxycarbonylisocyanate

이름 더 보기

AURORA KA-7476CarbethoxyisocyanateEthoxycarbonyl isocyanate, GC 90%ETHOXYCARBONYL ISOCYANATE TECH 90%

ethyl isocyanatooateethylisocyanatoformateNSC174484SCHEMBL62671DTXSID80306153VMVZGGPZNHFGKS-UHFFFAOYSA-NGEO-01300SBB069471

데이터베이스 식별자

CAS: 19617-43-7
PubChem CID: 300166
DTXSID: DTXSID80306153
EC Number: 626-050-9
Nikkaji: J558.996G

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 55.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 125

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 25 °C/10 · 25 °C/10 mmHg (lit.)
밀도: 1.115 g/mL · 1.115 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.408(lit.)
인화점: 96 °F · 96 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
Specific Gravity: 1.115 · 1.115
색상: 무색의
InChI: 1S/C4H5NO3/c1-2-8-4(7)5-3-6/h2H2,1H3
InChIKey: VMVZGGPZNHFGKS-UHFFFAOYSA-N
SMILES: CCOC(=O)N=C=O

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 3080 6.1/PG 2
HS 번호: 29291090
risk_code: 10-20/21/22-36/37/38
hazard_code: Xn
safety_code: 7-16-26-36/37/39
포장분류: II
위험 등급: 6.1(a)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 3 - Flammable liquids