4-(Trifluoromethyl)phenyl isothiocyanate

HCID 137134CAS 1645-65-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
FC(F)(F)c1ccc(N=C=S)cc1
InChIKey
DQEVDFQAYLIBRD-UHFFFAOYSA-N
분자식
C8H4F3NS
평균 분자량
203.19 g/mol
단동위원소 질량
203.00165479

이름 및 식별자

우선 이름
4-(Trifluoromethyl)phenyl isothiocyanate
IUPAC
1-isothiocyanato-4-(trifluoromethyl)benzene
영어명
4-(Trifluoromethyl)phenyl isothiocyanate
분자식
C8H4F3NS
분자량
203.19

이름 및 동의어

4-(Trifluoromethyl)phenyl isothiocyanate1645-65-4DTXSID30167771RefChem:517167DTXCID9090262627-484-11-isothiocyanato-4-(trifluoromethyl)benzenebenzene, 1-isothiocyanato-4-(trifluoromethyl)-4-(trifluoromethyl)phenylisothiocyanatep-TrifluoromethylphenylisothiocyanateMFCD000396454-trifluoromethylphenyl isothiocyanate
이름 더 보기
4-(Trifluoromethyl)p4-(TRIFLUOROMETHYL)BENZENE ISOCYANATE4-(Trifluoromethyl)phenyl thiocyanateà,à,à-trifluoro-p-tolyl isothiocyanate4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYATEp-Trifluoromethylphenyl isothiocyanateα,α,α-Trifluoro-p-tolyl isothiocyanate4-(Trifluoromethyl)phenyl isothiocyanate 97%
1-isothiocyanato-4-trifluoromethyl-benzene4-(trifluoromethyl)benzenisothiocyanatealpha,alpha,alpha-Trifluoro-p-tolyl IsothiocyanateIsothiocyanic Acid 4-(Trifluoromethyl)phenyl Ester4-trifluoromethylphenylisothiocyanateSCHEMBL456863SBB0643314-trifluoromethyl-phenyl isothiocyanate

데이터베이스 식별자

CAS
1645-65-4
PubChem CID
137134
DTXSID
DTXSID30167771
EC Number
627-484-1
Nikkaji
J813.327A

물성

구조 계산 물성

XLogP
4.4
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
39 · 39-43 °C(lit.)
끓는 점
81 °C11 · 81 °C11 mm Hg(lit.)
밀도
1.3395 · 1.3395 (estimate)
인화점
230 °F · >230 °F
저장 조건
2 · 2-8°C, stored under nitrogen
물리적 상태
powder to lump

화학적 성질

white to slightly yellow crystalline needles or chunks

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (85.4%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 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 (12.5%)；Acute Tox. 4 (12.5%)；Skin Corr. 1B (97.9%)；Acute Tox. 4 (12.5%)；Resp. Sens. 1 (85.4%)

안전 데이터

wgk
3
ridadr
UN 3261 8/PG 2
HS 번호
29309090
risk_code
34-42-36/37/38-20/21/22
hazard_code
C,Xi,T,Xn
safety_code
26-36/37/39-45-22

화학 및 산업

응용 분야 · 2건

용도4-(Trifluoromethyl)phenyl isothiocyanate may be used in the synthesis of 6-[1-amino-3-(4-trifluoromethylphenyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione. It may also be used in the synthesis of photoinduced electron transfer (PET) sensors.

일반 설명4-(Trifluoromethyl)phenyl isothiocyanate, also referred as p-trifluoromethylphenylisothiocyanate, is an isothiocyanate derivative.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]

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