메틸클로로티올포르메이트

S-methyl chlorothioformate

HCID 17772

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 18369-83-0
표준 SMILES: CSC(=O)Cl
InChIKey: YPSUCTSXOROPBS-UHFFFAOYSA-N
분자식: C2H3ClOS
평균 분자량: 110.56 g/mol
단동위원소 질량: 109.9593136

이름 및 식별자

우선 이름: S-methyl chlorothioformate
IUPAC: S-methyl chloromethanethioate
현지명: 메틸클로로티올포르메이트
영어명: METHYL CHLOROTHIOLFORMATE
분자식: C2H3ClOS
분자량: 110.56

이름 및 동의어

S-Methyl chlorothioformateMethyl chlorothioformateRefChem:884257242-244-2Methyl chlorothiolformate18369-83-0S-methyl chloromethanethioatemethylchlorothiolformateMethyl thiochloroformateCarbonochloridothioic acid, S-methyl esterMethyl thiolchloroformateS-Methyl chlorothiolformate

이름 더 보기

메틸클로로티올포르메이트methylchlorothioformatemethylthiochloroformatemethylthiolchloroformates-methylchlorothioformates-methylchlorothiolformate

S-METHYL CARBONOCHLORIDOTHIOATEThioformic acid, chloro-, methyl esterFORMIC ACID, CHLOROTHIO-, S-METHYL ESTERMETHYLSULFANYLFORMYL CHLORIDEEINECS 242-244-2BRN 0878190chloro(methylsulfanyl)methanoneS-methyl chlorothiocarbonate

데이터베이스 식별자

CAS: 18369-83-0、2812-72-8
PubChem CID: 17772
DTXSID: DTXSID40939744
EC Number: 242-244-2
Nikkaji: J49.560C

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 44

물리화학적 성질

끓는 점: 110 °C · 110 °C(lit.)
밀도: 1.288 g/mL · 1.288 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.49(lit.)
인화점: 88 °F · 88 °F
저장 조건: 2 · 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

GHS Classification · 5건

Danger

H226 (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.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)

안전 데이터

wgk: 3
rtecs: LQ7000000
ridadr: UN 2920 8/PG 2
risk_code: 10-20/21/22-34-52/53
hazard_code: C
safety_code: 16-26-27-36/37/39-45-61
포장분류: II
위험 등급: 8
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSkin Sens. 1STOT SE 2 Inhalation
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Methyl 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.