Cyclopentyl Isocyanate

HCID 643500CAS 4747-71-1

기본 정보

표준 SMILES: O=C=NC1CCCC1
InChIKey: CZALJDQHONFVFU-UHFFFAOYSA-N
분자식: C6H9NO
평균 분자량: 111.14 g/mol
단동위원소 질량: 111.06841391

이름 및 식별자

우선 이름: Cyclopentyl Isocyanate
IUPAC: isocyanatocyclopentane
영어명: Cyclopentyl isocyanate
분자식: C6H9NO
분자량: 111.14

이름 및 동의어

Cyclopentyl isocyanate4747-71-1DTXSID20349201RefChem:581083DTXCID40300273628-278-4isocyanatocyclopentaneCyclopentylisocyanatecyclopentane, isocyanato-MFCD02093695Isocyanic Acid Cyclopentyl Esterisocyanato cyclopentane

이름 더 보기

516589_ALDRICHCyclopentyl IsocyateCyclopentyl isocyanate 97%Cyclopentyl Isocyanate >Isocyanic Acid Cyclopentyl EsterCyclopentyl Isocyanate, 98.0%(GC)isocyanatocyclopentane(SALTDATA: FREE)

isocyanato-cyclopentaneSCHEMBL6196Cyclopentyl isocyanate, 97%Isocyanic acid cyclopentyl ester|CZALJDQHONFVFU-UHFFFAOYSA-NALBB-000318BBL036935STK500758

데이터베이스 식별자

CAS: 4747-71-1
PubChem CID: 643500
DTXSID: DTXSID20349201
EC Number: 628-278-4
Nikkaji: J2.940.085G

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 110

물리화학적 성질

끓는 점: 147 °C · 147 °C (lit.)
밀도: 0.986 g/mL · 0.986 g/mL at 25 °C (lit.)
증기압: 2.83 psi · 2.83 psi ( 20 °C)
굴절률: 20 · n20/D 1.447(lit.)
인화점: 97 °F · 97 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
InChI: 1S/C6H9NO/c8-5-7-6-3-1-2-4-6/h6H,1-4H2
InChIKey: CZALJDQHONFVFU-UHFFFAOYSA-N
SMILES: O=C=NC1CCCC1

화학적 성질

It is a Colorless liquid that is soluble in chlorobenzene and readily decomposes upon contact with water.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, 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 41 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 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 1
HS 번호: 29291090
risk_code: 10-20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 16-26-36/37/39
포장분류: II
위험 등급: IRRITANT
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