1-Isothiocyanato-3-(trifluoromethyl)benzene

HCID 137232CAS 1840-19-3

기본 정보

표준 SMILES
FC(F)(F)c1cccc(N=C=S)c1
InChIKey
GFEPANUKFYVALF-UHFFFAOYSA-N
분자식
C8H4F3NS
평균 분자량
203.19 g/mol
단동위원소 질량
203.00165479

이름 및 식별자

우선 이름
1-Isothiocyanato-3-(trifluoromethyl)benzene
IUPAC
1-isothiocyanato-3-(trifluoromethyl)benzene
영어명
3-(Trifluoromethyl)phenyl isothiocyanate
분자식
C8H4F3NS
분자량
203.19

이름 및 동의어

3-(Trifluoromethyl)phenyl isothiocyanate1840-19-31-Isothiocyanato-3-(trifluoromethyl)benzeneGFEPANUKFYVALF-UHFFFAOYSA-DTXSID90171531RefChem:433400DTXCID5094022628-756-2InChI=1/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H3-(trifluoromethyl)phenylisothiocyanateMFCD00004806Benzene, 1-isothiocyanato-3-(trifluoromethyl)-
이름 더 보기
TIMTEC-BB SBB006553m-Trifluoromethylphenol isothiocyanate-(Trifluoromethyl)phenylisothiocyanateà,à,à-trifluoro-m-tolyl isothiocyanate3-(Trifluoromethyl)phenyl isothiocyate, 98%3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE 98%
m-(Trifluoromethyl)phenyl isothiocyanate3-trifluoromethylphenyl isothiocyanatealpha,alpha,alpha-Trifluoro-m-tolyl isothiocyanate1-isothiocyanato-3-trifluoromethyl-benzeneHMS1786G12T2460D92601Isothiocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-m-tolyl ester

데이터베이스 식별자

CAS
1840-19-3
PubChem CID
137232
DTXSID
DTXSID90171531
ChEMBL
CHEMBL4758782
EC Number
628-756-2
Nikkaji
J149.586K

물성

구조 계산 물성

XLogP
4.7
극성 표면적
44.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
1
무거운 원자 수
13

물리화학적 성질

녹는점
206 · 206-208 °C
끓는 점
206 · 206-208 °C
밀도
1.335 · 1.335
굴절률
1.555 · 1.555-1.557
인화점
94 °C · 94 °C
물리적 상태
투명한 액체

화학적 성질

clear yellow to orange liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 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 (95.7%);Acute Tox. 4 (95.7%);Skin Corr. 1B (97.9%);Eye Dam. 1 (85.1%);Acute Tox. 4 (95.7%);STOT SE 3 (87.2%)

안전 데이터

wgk
WGK 3
ridadr
2810
HS 번호
29309090
risk_code
36/37/38-20/21/22-36/37-34
hazard_code
Xn,Xi,T,C
safety_code
36/37/39-26-45-28-27

화학 및 산업

응용 분야

용도Used as pharamaceutical intermediate.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

관련 반응

28건

연결된 노트

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