베이h1127

Bay-H-1127

HCID 16736CAS 2250-53-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1n[nH]c2ccc(C(F)(F)F)cc12
InChIKey: ZXZTZRVCWTWKCH-UHFFFAOYSA-N
분자식: C8H6F3N3
평균 분자량: 201.15 g/mol
단동위원소 질량: 201.05138169

이름 및 식별자

우선 이름: Bay-H-1127
IUPAC: 5-(trifluoromethyl)-1H-indazol-3-amine
현지명: 베이h1127
영어명: BAY h 1127
분자식: C8H6F3N3
분자량: 201.15

이름 및 동의어

5-(Trifluoromethyl)-1H-indazol-3-amineBAY h 11273-Amino-5-(trifluoromethyl)-1H-indazole1H-Indazol-3-amine, 5-(trifluoromethyl)-14HRX76GHKBay-H-1127BRN 09590703-amino-5-trifluoromethylindazole1H-Indazole, 3-amino-5-(trifluoromethyl)-UNII-14HRX76GHKDTXSID60177025RefChem:199716

이름 더 보기

베이h1127[5-(trifluoromethyl)-1H-indazol-3-yl]amine3-Amino-5-(trifluoromethyl)-1H-indazole95%3-Amino-5-(trifluoromethyl)-1H-indazole,97%3-Amino-5-(trifluoromethyl)-1H-indazole 95%3-Amino-5-(trifluoromethyl)-1H-indazole, 95%5-(trifluoromethyl)-1H-indazol-3-amine - [T85341]

DTXCID60995161H-Indazol-3-amine, 5-(trifluoromethyl)-(9CI)2250-53-5MFCD017197405-(trifluoromethyl)-1H-indazole-3-ylamine5-(trifluoromethyl)-1H-indazole-3-amine1H-Indazol-3-amine, 5-(trifluoromethyl)- (9CI)orb3022501

데이터베이스 식별자

CAS: 2250-53-5
PubChem CID: 16736
DTXSID: DTXSID60177025
UNII: 14HRX76GHK
EC Number: 642-780-0

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 218

물리화학적 성질

녹는점: 114 · 114-118°
끓는 점: 358.5 · 358.5±37.0 °C(Predicted)
밀도: 1.536 · 1.536±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: 결정성 분말
산도 계수 (pKa): 13.51 · 13.51±0.40(Predicted)
색상: 흰색에서 노란색으로

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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.