CAS 7357-70-2 2-Cyanoethanethioamide (HCID 1416277)

이름 및 식별자

우선 이름: 2-Cyanoethanethioamide
IUPAC: 2-cyanoethanethioamide
영어명: 2-Cyanothioacetamide
분자식: C3H4N2S
분자량: 100.14

이름 및 동의어

2-CyanoethanethioamideRefChem:470732615-994-72-Cyanothioacetamide7357-70-2CyanothioacetamideEthanethioamide, 2-cyano-(Cyano)thioacetamideMFCD000100252-cyano-thioacetamidealpha-cyanothioacetamidecyanthioacetamide

이름 더 보기

AKOS 92217AURORA 15324cyanothoacetamideOTAVA-BB BB0109870010Cyanothioacetamide 98%Cyanothioacetamide-98%2-CyanothioacetaMide 97%

cyanoacetothioamide2-CyanothioactamideNSC534053-amino-3-thioxopropanenitrileCyanoethanethioamide2-cyano-ethanethioamide2-Cyanothioacetamide, 97%SCHEMBL191971

데이터베이스 식별자

CAS: 7357-70-2
PubChem CID: 1416277
DTXSID: DTXSID80223770
EC Number: 615-994-7
Nikkaji: J258.989C

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 81.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 98.6

물리화학적 성질

녹는점: 118 · 118-120 °C (lit.)
끓는 점: 264 · 264.0±42.0 °C(Predicted)
밀도: 1.241 · 1.241 (estimate)
굴절률: 1.53 · 1.5300 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 12.18 · 12.18±0.29(Predicted)
물리적 상태: 바늘 모양의 결정이나 분말
색상: 베이지에서 브라운까지
수용성: 물과 잘 섞이지 않습니다.
BRN: 1699934 · 1699934
InChI: InChI=1S/C3H4N2S/c4-2-1-3(5)6/h1H2,(H2,5,6)
InChIKey: BHPYMZQTCPRLNR-UHFFFAOYSA-N
SMILES: C(N)(=S)CC#N

화학적 성질

beige to brown needles or powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H302 (98%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (98%)

안전 데이터

wgk: 3
ridadr: UN 3439 6.1/PG 3
HS 번호: 29309090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39-36/37/39-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful/Light Sensitive
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도2-Cyanothioacetamide was used in the synthesis of 3,4-trans-4-aryl-3-(1-pyridinio)-1,2,3,4-tetrahydropyridine-6-thiolates and bis[6-(2-aryl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile]. 2-Cyanothioacetamide is used as a building block for 2-pyridothiones. It can be used in agrochemical, pharmaceutical and dyestuff field etc,.