TRANS-2-페닐시클로프로필이소시아네이트

TRANS-2-페닐시클로프로필이소시아네이트 · NSC80668 · 1-[2-(propylamino)phenyl]ethanone · trans-2-Phenylcyclopropyl isocyanate · trans-2-Phenylcyclopropyl isocyanate, REMAINDER CIS · TRANS-2-PHENYLCYCLOPROPYL ISOCYANATE, 90 %, REMAINDER CIS · trans-2-Phenylcyclopropyl isocyanate 90%, remainder predominantly cis

https://huagongshe.com/ko/chemical/255285

식별자 및 물리적 특성

CAS No.	35019-96-6
분자식	C10H9NO
평균 분자량	159.18 g/mol
단동위원소 질량	159.06841391 g/mol
SMILES	O=C=N[C@@H]1C[C@H]1c1ccccc1
InChIKey	DYUXVJAFBUZREW-VHSXEESVSA-N
PubChem CID	255285
EC No.	252-320-7
DTXSID	DTXSID30188542
현지명	TRANS-2-페닐시클로프로필이소시아네이트

화학 및 물리적 성질

XLogP	2.9
극성 표면적	29.4
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	12
형식 전하	0
복잡도	202
끓는 점	75-76 °C0.5 mm Hg(lit.)
밀도	1.074 g/mL at 25 °C(lit.)
굴절률	n20/D 1.546(lit.)
인화점	225 °F
물리적 상태	liquid
InChI	1S/C10H9NO/c12-7-11-10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10+/m0/s1
InChIKey	DYUXVJAFBUZREW-VHSXEESVSA-N
SMILES	O=C=N[C@@H]1C[C@H]1c2ccccc2

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 2206 6.1/PG 3
위험 문구(R)	20/21/22-36/37/38
위험 표시	Xn
안전 문구(S)	23-26-28-37/39
포장분류	III
위험 등급	6.1(b)Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
저장 분류	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

용도

trans-2-Phenylcyclopropyl isocyanate was used as isocyante monomer during general solid-phase synthesis for identification of peroxisome proliferator-activated receptor ligands.