Carbonocyanidic acid, methyl ester

Methyl carbonocyanidate · Carbonocyanidic acid, methyl ester · cyklona · Cyklon A · CH3OC(O)CN · METHYL CYANOFORMATE · Methylcyanomethanoate · cyanoformatemethylester

https://huagongshe.com/ko/chemical/28660

Carbonocyanidic acid, methyl ester 분자 구조식

식별자 및 물리적 특성

CAS No.	17640-15-2
분자식	C3H3NO2
평균 분자량	85.06 g/mol
단동위원소 질량	85.01637834 g/mol
SMILES	COC(=O)C#N
InChIKey	OBWFJXLKRAFEDI-UHFFFAOYSA-N
PubChem CID	28660
EC No.	241-626-6
DTXSID	DTXSID1066235

화학 및 물리적 성질

XLogP	0.3
극성 표면적	50.1
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	6
형식 전하	0
복잡도	98.6
SpringerMaterials Properties	Schoenflies notation
녹는점	185-186 °C
끓는 점	100-101 °C (lit.)
밀도	1.072 g/mL at 25 °C (lit.)
굴절률	n20/D 1.374(lit.)
인화점	79 °F
물리적 상태	liquid
BRN	1742994
InChI	1S/C3H3NO2/c1-6-3(5)2-4/h1H3
InChIKey	OBWFJXLKRAFEDI-UHFFFAOYSA-N
SMILES	COC(=O)C#N
EPA	Carbonocyanidic acid, methyl ester (17640-15-2)

화학적 성질

Colorless liquid; ethereal odor. Decomposedby alkalies and water. Soluble in alcohol, benzene,ether.

안전 및 규제

GHS 분류	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, 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.
규제 정보	Carbonocyanidic acid, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	LQ7525000
운송 번호(UN)	UN 3275 6.1/PG 2
위험 문구(R)	10-26/27/28-36/38-36/37/38
위험 표시	T+
안전 문구(S)	26-28-36/37-45
포장분류	III
위험 등급	3.2Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2
F 고인화성물질	10-19-21
저장 분류	3 - Flammable liquids

용도

개요

Methyl cyanoformate is the organic compound with the formula CH3OC(O)CN. It is used as a reagent in organic synthesis as a source of the methoxy carbonyl group , in which context it is also known as Mander's reagent. It was also the active ingredient in the pesticide product Zyklon A.

용도

Organic synthesis.