1-Isothiocyanato-3-(trifluoromethyl)benzene

TIMTEC-BB SBB006553 · m-Trifluoromethylphenol isothiocyanate · -(Trifluoromethyl)phenylisothiocyanate · à,à,à-trifluoro-m-tolyl isothiocyanate · M-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE · 3-(Trifluoromethyl)phenyl isothiocyanate · 1-ISOTHIOCYANATO-3-TRIFLUOROMETHYL-BENZENE · 3-(Trifluoromethyl)phenyl isothiocyate, 98%

https://huagongshe.com/ko/chemical/137232

1-Isothiocyanato-3-(trifluoromethyl)benzene 분자 구조식

식별자 및 물리적 특성

CAS No.	1840-19-3
분자식	C8H4F3NS
평균 분자량	203.19 g/mol
단동위원소 질량	203.00165479 g/mol
SMILES	FC(F)(F)c1cccc(N=C=S)c1
InChIKey	GFEPANUKFYVALF-UHFFFAOYSA-N
PubChem CID	137232
ChEMBL	CHEMBL4758782
EC No.	628-756-2
DTXSID	DTXSID90171531

화학 및 물리적 성질

XLogP	4.7
극성 표면적	44.5
수소 결합 공여자 수	0
수소 결합 수용자 수	5
회전 가능 결합 수	1
무거운 원자 수	13
형식 전하	0
복잡도	220
녹는점	206-208 °C
끓는 점	206-208 °C
밀도	1.335
굴절률	1.555-1.557
인화점	94 °C
물리적 상태	투명한 액체
색상	White to Yellow to Green
비중	1.335
용해도	물에서 가수분해됩니다.
BRN	781205
InChI	1S/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey	GFEPANUKFYVALF-UHFFFAOYSA-N
SMILES	FC(F)(F)c1cccc(c1)N=C=S

화학적 성질

clear yellow to orange liquid

안전 및 규제

GHS 분류	DangerH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (95.7%)Skin Corr. 1B (97.9%)Eye Dam. 1 (85.1%)STOT SE 3 (87.2%)
수질 위해 등급(WGK)	WGK 3
운송 번호(UN)	2810
관세 코드	29309090
위험 문구(R)	36/37/38-20/21/22-36/37-34
위험 표시	Xn,Xi,T,C
안전 문구(S)	36/37/39-26-45-28-27
포장분류	III
위험 등급	6.1Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3
위험 참고 사항	Harmful/Irritant

용도

Used as pharamaceutical intermediate.