CAS 155-11-3 5-Fluoropyrimidine-2,4-diamine (HCID 255608)

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Basic information

CAS: 155-11-3
Standard SMILES: Nc1ncc(F)c(N)n1
InChIKey: RMTFEZUZAHJEFW-UHFFFAOYSA-N
Molecular formula: C4H5FN4
Average molar mass: 128.11 g/mol
Monoisotopic mass: 128.04982438

Names & identifiers

Preferred name: 5-Fluoropyrimidine-2,4-diamine
IUPAC: 5-fluoropyrimidine-2,4-diamine
English name: 2,4-Pyrimidinediamine, 5-fluoro- (9CI)
Molecular formula: C4H5FN4
Molecular weight: 128.11

Names & synonyms

5-fluoropyrimidine-2,4-diamine5-fluoro-2,4-pyrimidinediamineDTXSID70292273RefChem:536000DTXCID00243415858-671-8155-11-32,4-Pyrimidinediamine, 5-fluoro-2,4-Pyrimidinediamine, 5-fluoro- (9CI)NSC81284SCHEMBL6552685-fluoro-2,4-pyrmidinediamine

Show more names

(2-amino-5-fluoro-pyrimidin-4-yl)amine

SCHEMBL29610082RMTFEZUZAHJEFW-UHFFFAOYSA-NCCG-40437MFCD18377712NSC-81284AKOS017515575SB56990EN300-804980

Database identifiers

CAS: 155-11-3
PubChem CID: 255608
DTXSID: DTXSID70292273
EC Number: 858-671-8

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 98.6

Physicochemical properties

Boiling point: 376.4 · 376.4±45.0 °C(Predicted)
Density: 1.513 · 1.513±0.06 g/cm3(Predicted)
pka: 5.45 · 5.45±0.10(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 332 · H332-H312-H318-H315-H302-H335
Precautionary statements: 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P305+P351+P338-P310
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933599590
Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H332-H312-H318-H315-H302-H335
Precautionary statements: P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P305+P351+P338-P310