CAS 758-16-7 N,N-Dimethylthioformamide (HCID 69794)

개요

structure in first source

이름 및 식별자

우선 이름: N,N-Dimethylthioformamide
IUPAC: N,N-dimethylmethanethioamide
영어명: N,N-DIMETHYLTHIOFORMAMIDE
분자식: C3H7NS
분자량: 89.16

이름 및 동의어

N,N-dimethylthioformamide758-16-7Methanethioamide, N,N-dimethyl-RefChem:161325212-060-7DimethylthioformamideN,N-dimethylmethanethioamideFormamide, N,N-dimethylthio-MFCD00004943EINECS 212-060-7NSC 402082NN-Dimethylthioformamide

이름 더 보기

N,N-dimethylthioforamideN,N-Dimethylformthioamiden,n-dimethyl-methanethioamid(Dimethylamino)methanethione

Formamide,N-dimethylthio-(dimethylamino)methanethialN,N-dimethyl-thioformamidemethanethioamide, dimethyl-HCSN(CH3)2Methanethioamide,N-dimethyl-SCHEMBL207783SCHEMBL207784

데이터베이스 식별자

CAS: 758-16-7
PubChem CID: 69794
DTXSID: DTXSID6061076
ChEMBL: CHEMBL4530853
EC Number: 212-060-7
Nikkaji: J136.546K

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 5
형식 전하: 0
복잡도: 33.9

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: -9 °C · -9°C(lit.)
끓는 점: 58 · 58-60 °C1 mm Hg(lit.)
밀도: 1.047 g/mL · 1.047 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.576(lit.)
인화점: 211 °F · 211 °F
저장 조건: 2 · 2-8°C
용해도: sol THF, ethyl acetate, toluene, DMF
물리적 상태: liquid
산도 계수 (pKa): 1.71 · 1.71±0.50(Predicted)
수용성: 물에 완전히 섞임.
BRN: 1737191 · 1737191
Dielectric constant: 47.5 · 47.5
InChI: 1S/C3H7NS/c1-4(2)3-5/h3H,1-2H3
InChIKey: SKECXRFZFFAANN-UHFFFAOYSA-N
SMILES: [H]C(=S)N(C)C
EPA: Methanethioamide, N,N-dimethyl- (758-16-7)

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.9%): 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 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationMethanethioamide, N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
HS 번호: 29309090
risk_code: 21/22
hazard_code: Xn
safety_code: 36/37
F 고인화성물질: 13
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationMethanethioamide, N,N-dimethyl-: INACTIVE

응용 분야

용도It is used in telecommunication.

일반 설명N,N-Dimethylthioformamide undergoes desulfurization reaction with hydrosilane under photo irradiation in the presence of a methyl iron complex. It forms a deep-orange complex with anhydrous bismuth(III) trifluoromethanesulfonate.