CAS 38980-96-0 4-(Trifluoromethyl)benzamidine Hydrochloride (HCID 12535791)

기본 정보

CAS: 38980-96-0
표준 SMILES: Cl.N=C(N)c1ccc(C(F)(F)F)cc1
InChIKey: DKIFMADLURULQV-UHFFFAOYSA-N
분자식: C8H8ClF3N2
평균 분자량: 224.61 g/mol
단동위원소 질량: 224.0328104

이름 및 식별자

우선 이름: 4-(Trifluoromethyl)benzamidine Hydrochloride
IUPAC: 4-(trifluoromethyl)benzenecarboximidamide;hydrochloride
현지명: 4-트리플루오로메틸-벤자미딘HCL
영어명: 4-Trifluoromethyl-benzamidine HCl
분자식: C8H8ClF3N2
분자량: 224.61

이름 및 동의어

4-(Trifluoromethyl)benzamidine hydrochlorideRefChem:517126811-845-738980-96-04-(TRIFLUOROMETHYL)BENZIMIDAMIDE HYDROCHLORIDE4-Trifluoromethyl-benzamidine HClMFCD041144314-Trifluoromethyl-benzamidine hydrochloride4-(Trifluoromethyl)Benzene-1-Carboximidamide Hydrochloride4-(Trifluoromethyl)benzenecarboximidamide hydrochloride4-(trifluoromethyl)benzenecarboximidamide;hydrochloride4-(Trifluoromethyl)benzamidine HCl

이름 더 보기

4-트리플루오로메틸-벤자미딘HCL4-TrifluoroMethyl-benzanidibe HCL4-Trifluoromethylbenzamidinehydrochloridel4-TRIFLUOROMETHYL-BENZAMIDINE HCL ISO 9001：2015 REACH

4-(trifluoromethyl)benzenecarboxamidine, chlorideBENZENECARBOXIMIDAMIDE, 4-(TRIFLUOROMETHYL)-, MONOHYDROCHLORIDESCHEMBL1549707DTXSID905016574-Trifluoromethyl-benzamidine.HCl4-(Trifluoromethyl)benzenecarboximidamide hydrochloride (1:1)SBB055299AKOS005256779

데이터베이스 식별자

CAS: 38980-96-0
PubChem CID: 12535791
DTXSID: DTXSID90501657
EC Number: 811-845-7

물성

구조 계산 물성

극성 표면적: 49.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 192

물리화학적 성질

녹는점: 158 · 158-161℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: 1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)
InChIKey: XFLGYXVBXUAGQV-UHFFFAOYSA-N
SMILES: NC(C1=CC=C(C=C1)C(F)(F)F)=N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 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.