메틸클로로티올포르메이트

메틸클로로티올포르메이트 · methylchlorothioformate · methylthiochloroformate · Methyl chlorothioformate · Methyl thiochloroformate · methylthiolchloroformate · METHYL CHLOROTHIOLFORMATE · s-methylchlorothioformate

https://huagongshe.com/ko/chemical/17772

식별자 및 물리적 특성

CAS No.	18369-83-0
분자식	C2H3ClOS
평균 분자량	110.56 g/mol
단동위원소 질량	109.9593136 g/mol
SMILES	CSC(=O)Cl
InChIKey	YPSUCTSXOROPBS-UHFFFAOYSA-N
PubChem CID	17772
EC No.	242-244-2
DTXSID	DTXSID40939744
현지명	메틸클로로티올포르메이트

화학 및 물리적 성질

XLogP	1.7
극성 표면적	42.4
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	5
형식 전하	0
복잡도	44
끓는 점	110 °C(lit.)
밀도	1.288 g/mL at 25 °C(lit.)
굴절률	n20/D 1.49(lit.)
인화점	88 °F
저장 조건	2-8°C
InChI	1S/C2H3ClOS/c1-5-2(3)4/h1H3
InChIKey	YPSUCTSXOROPBS-UHFFFAOYSA-N
SMILES	CSC(Cl)=O

안전 및 규제

GHS 분류	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Flam. Liq. 3 (100%)Acute Tox. 4 (100%)Skin Corr. 1B (100%)
수질 위해 등급(WGK)	3
RTECS 번호	LQ7000000
운송 번호(UN)	UN 2920 8/PG 2
위험 문구(R)	10-20/21/22-34-52/53
위험 표시	C
안전 문구(S)	16-26-27-36/37/39-45-61
포장분류	II
위험 등급	8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSkin Sens. 1STOT SE 2 Inhalation
저장 분류	3 - Flammable liquids

용도

Methyl Chlorothioformate is a chemical reagent used in the synthesis of Mitomycin C (M371900)-tethered phosphorothiaoate oligodeoxynucleotides. for use as an anti-tumor antibiotic. Also used in the preparation of Brassinin (B676950) derivatives, a plant metabolite of great significance due to its dual role both as an effective phytoalexin and as an early biosynthetic precursor of the majority of the phytoalexins.