Carbonocyanidic acid, methyl ester (HCID 28660)

이름 및 식별자

우선 이름: Carbonocyanidic acid, methyl ester
IUPAC: methyl cyanoformate
영어명: Methyl cyanoformate
분자식: C3H3NO2
분자량: 85.06

이름 및 동의어

Methyl cyanoformate17640-15-2Carbonocyanidic acid, methyl esterCyanoformate methyl esterCyklon A [Czech]Cyklon AFORMIC ACID, CYANO-, METHYL ESTEREINECS 241-626-6BRN 1742994Methylester kyseliny kyanmravenci [Czech]Methylester kyseliny kyanmravenciDTXSID1066235

이름 더 보기

cyklonaCH3OC(O)CNMethylcyanomethanoatecyanoformatemethylesterCyanoformic acid methylMethyl cyanoforMate 99%

3-02-00-01587 (Beilstein Handbook Reference)RefChem:574555DTXCID0035615241-626-6methyl carbonocyanidate7S9M7F9JLTmethane, [(cyanocarbonyl)oxy]-2-methoxy-2-oxoacetonitrile

데이터베이스 식별자

CAS: 17640-15-2
PubChem CID: 28660
DTXSID: DTXSID1066235
UNII: 7S9M7F9JLT
EC Number: 241-626-6
Nikkaji: J47.920I

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 50.1 Å²
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

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

녹는점: 185 · 185-186 °C
끓는 점: 100 · 100-101 °C (lit.)
밀도: 1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.374(lit.)
인화점: 79 °F · 79 °F
물리적 상태: liquid
BRN: 1742994 · 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

GHS Classification · 4건

Danger

H226 (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.

유해성 정보

Regulatory InformationCarbonocyanidic 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 CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: LQ7525000
ridadr: UN 3275 6.1/PG 2
risk_code: 10-26/27/28-36/38-36/37/38
hazard_code: T+
safety_code: 26-28-36/37-45
포장분류: III
위험 등급: 3.2
F 고인화성물질: 10-19-21
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationCarbonocyanidic acid, methyl ester: INACTIVE

응용 분야 · 2건

개요Methyl 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.

용도Organic synthesis.