Bay-H-1127

HCID 16736
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Basic information

CAS
2250-53-5
Standard SMILES
Nc1n[nH]c2ccc(C(F)(F)F)cc12
InChIKey
ZXZTZRVCWTWKCH-UHFFFAOYSA-N
Molecular formula
C8H6F3N3
Average molar mass
201.15 g/mol
Monoisotopic mass
201.05138169

Names & identifiers

Preferred name
Bay-H-1127
IUPAC
5-(trifluoromethyl)-1H-indazol-3-amine
English name
BAY h 1127
Molecular formula
C8H6F3N3
Molecular weight
201.15

Names & synonyms

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
Show more names
[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

Database identifiers

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

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
54.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
14

Physicochemical properties

Melting point
114 · 114-118°
Boiling point
358.5 · 358.5±37.0 °C(Predicted)
Density
1.536 · 1.536±0.06 g/cm3(Predicted)
RTECS
7772500 · NK7772500
storage temp.
2 · 2-8°C, protect from light
form
Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (33.3%)；Skin Irrit. 2 (83.3%)；Eye Irrit. 2 (83.3%)；Acute Tox. 3 (16.7%)

Safety data

hs_code
29339980
Toxicity
rat,LD50,oral,90mg/kg (90mg/kg),Archives of Toxicology. Vol. 54, Pg. 275, 1983.
Signal word
Danger
Symbol(GHS)
GHS06
hazard_class
6.1
Hazard statements
H301-H315-H319-H335

Chemistry & industry

Applications

UsesUsed as pharmaceutical intermediate.

Suppliers39 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

18 records
New reaction record

Compound notes

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