4-[2-(트리플루오로메틸)페닐]-3-티오세미카르바자이드

3-Amino-1-(2-(trifluoromethyl)phenyl)thiourea

HCID 723187

기본 정보

CAS
38901-29-0
표준 SMILES
NNC(=S)Nc1ccccc1C(F)(F)F
InChIKey
DJHSXXYKSJQDKZ-UHFFFAOYSA-N
분자식
C8H8F3N3S
평균 분자량
235.23 g/mol
단동위원소 질량
235.03910293

이름 및 식별자

우선 이름
3-Amino-1-(2-(trifluoromethyl)phenyl)thiourea
IUPAC
1-amino-3-[2-(trifluoromethyl)phenyl]thiourea
현지명
4-[2-(트리플루오로메틸)페닐]-3-티오세미카르바자이드
영어명
4-[2-(Trifluoromethyl)phenyl]-3-thiosemicarbazide
분자식
C8H8F3N3S
분자량
235.23

이름 및 동의어

3-amino-1-[2-(trifluoromethyl)phenyl]thiourea3-Amino-1-(2-(trifluoromethyl)phenyl)thioureaRefChem:496723671-255-938901-29-04-[2-(Trifluoromethyl)phenyl]-3-thiosemicarbazideN-(2-(trifluoromethyl)phenyl)hydrazinecarbothioamide1-amino-3-[2-(trifluoromethyl)phenyl]thiourean-[2-(trifluoromethyl)phenyl]hydrazinecarbothioamideMFCD000605694-(2-(trifluoromethyl)phenyl)-3-thiosemicarbazidehydrazino{[2-(trifluoromethyl)phenyl]amino}methane-1-thione
이름 더 보기
4-[2-(트리플루오로메틸)페닐]-3-티오세미카르바자이드4-[2-(Triffluoromethyl)phenyl]-3-thiosemicarbazide4-[2-(Trifluoromethyl)phenyl]-3-thiosemicarbazide97%Hydrazinecarbothioamide, N-[2-(trifluoromethyl)phenyl]-3-[[2-(3-fluorophenyl)-2-oxoethyl]thio]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one
SCHEMBL7819531DTXSID10352325HMS1786A10CCG-46979SBB098399AKOS000122635ST51041691EN300-03799

데이터베이스 식별자

CAS
38901-29-0
PubChem CID
723187
DTXSID
DTXSID10352325
EC Number
671-255-9

물성

구조 계산 물성

XLogP
0.8
극성 표면적
82.2 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
1
무거운 원자 수
15

물리화학적 성질

녹는점
159 · 159-161°C
끓는 점
290.9 · 290.9±50.0 °C(Predicted)
밀도
1.471 · 1.471±0.06 g/cm3(Predicted)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa)
10.12 · 10.12±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 3 reports by companies from 3 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. 3 (33.3%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

안전 데이터

HS 번호
2930909899
risk_code
20/21/22-36/37/38
hazard_code
Xi
safety_code
26-36/37/39
위험 등급
IRRITANT

화학 및 산업

상·하류 제품 정보

공급사15 곳

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]

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5건

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