2,2,2-트리플루오로에탄티오아미드

Trifluoroethanethioamide

HCID 4425751CAS 421-52-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=S)C(F)(F)F
InChIKey: VZBAIMIVLDKBTE-UHFFFAOYSA-N
분자식: C2H2F3NS
평균 분자량: 129.11 g/mol
단동위원소 질량: 128.98600473

이름 및 식별자

우선 이름: Trifluoroethanethioamide
IUPAC: 2,2,2-trifluoroethanethioamide
현지명: 2,2,2-트리플루오로에탄티오아미드
영어명: 2,2,2-trifluoroethanethioamide
분자식: C2H2F3NS
분자량: 129.1

이름 및 동의어

trifluoroethanethioamideRefChem:899584676-337-82,2,2-trifluoroethanethioamide421-52-32,2,2-TrifluorothioacetamidetrifluorothioacetamideMFCD020938442,2,2-Trifluorothioacetamide, tech.C2H2F3NSNSC3814302,2,2,-trifluorothioacetamide

이름 더 보기

2,2,2-트리플루오로에탄티오아미드

SCHEMBL1431301DTXSID604031592,2,2-TrifluoroethanethioacetaMideEthanethioaMide, 2,2,2-trifluoro-SBB0564892,2,2-trifluoroethanimidothioic acidAKOS006279929NSC-381430

데이터베이스 식별자

CAS: 421-52-3
PubChem CID: 4425751
DTXSID: DTXSID60403159
EC Number: 676-337-8
Nikkaji: J1.785.091A

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 58.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 85

물리화학적 성질

녹는점: 42 · 42-43 °C(Solv: ethyl ether (60-29-7))
끓는 점: 40 °C · 40 °C(Press: 2 Torr)
밀도: 1.49 · 1.49
굴절률: 1.434 · 1.434
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 11.02 · 11.02±0.29(Predicted)
InChI: InChI=1S/C2H2F3NS/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKey: VZBAIMIVLDKBTE-UHFFFAOYSA-N
SMILES: C(N)(=S)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (13.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (13.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (86.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (13.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (13.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 22 reports by companies from 5 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 CategoriesAcute Tox. 4 (13.6%)；Acute Tox. 4 (13.6%)；Skin Irrit. 2 (13.6%)；Skin Sens. 1 (86.4%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (13.6%)；STOT SE 3 (13.6%)