CAS 2578-45-2 2-Chloro-3,5-dinitropyridine (HCID 75738)

Names & identifiers

Preferred name: 2-Chloro-3,5-dinitropyridine
IUPAC: 2-chloro-3,5-dinitropyridine
English name: 2-Chloro-3,5-dinitropyridine
Molecular formula: C5H2ClN3O4
Molecular weight: 203.54

Names & synonyms

2-Chloro-3,5-dinitropyridine2578-45-2Pyridine, 2-chloro-3,5-dinitro-LPK39X4VRTEINECS 219-937-33,5-dinitro-2-chloropyridineDTXSID7062532RefChem:468598DTXCID3037389219-937-3MFCD00006233C5H2ClN3O4

Show more names

AURORA KA-29992-Chloro-3,5-nitropyridine2-chloro-3,5-dinitro-pyridin2,Chloro3,5-DinitropyridineGr2-CHLORO-3,5-DINITROPYRIDINE AR2-Chloro-3,5-dinitropyridine,99%2-Chloro-3,5-dinitropyridine >

2-chloro-3,5-dinitro-pyridine2-Chloro-3.5-dinitropyridineUNII-LPK39X4VRT2-Chloro3,5-dinitropyridineSCHEMBL985995SCHEMBL29780392SBB0652342-Chloro-3,5-dinitropyridine, 99%

Database identifiers

CAS: 2578-45-2
PubChem CID: 75738
DTXSID: DTXSID7062532
UNII: LPK39X4VRT
EC Number: 219-937-3
Nikkaji: J192.086C

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 105 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 63 · 63-65 °C(lit.)
Boiling point: 320.9 · 320.9±37.0 °C(Predicted)
Density: 2.2523 · 2.2523 (rough estimate)
refractive index: 1.6 · 1.6000 (estimate)
storage temp.: 30 °C · Store below +30°C.
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Crystalline Powder
pka: -6.96 · -6.96±0.10(Predicted)
color: Light yellow
Water Solubility: Insoluble in water.
Sensitive: Moisture Sensitive
BRN: 196026 · 196026
InChI: InChI=1S/C5H2ClN3O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H
InChIKey: QLHVJBXAQWPEDI-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C([N+]([O-])=O)C=C1[N+]([O-])=O
CAS DataBase Reference: 2578 · 2578-45-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 39 X4VRT · LPK39X4VRT
EPA Substance Registry System: 2 · Pyridine, 2-chloro-3,5-dinitro- (2578-45-2)
UNSPSC Code: 12352101 · 12352101
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 300 · H300-H315-H319
Precautionary statements: 264 · P264-P270-P280-P301+P310-P302+P352-P305+P351+P338
Hazard Codes: T,Xi
Risk Statements: 25 · 25
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2811 · UN 2811 6.1/PG 2
WGK Germany: 3 · 3
RTECS: 6504750 · US6504750
F: 10 · 10-21
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 2933 · 2933 39 99
HazardClass: 6.1 · 6.1
PackingGroup: II
Storage Class: 6.1 A · 6.1A - Combustible, acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 2 OralEye · Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2
Toxicity: 50 orally · LD50 orally in Rabbit: 50 mg/kg
Limited Quantities: 0.5 Kg · 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (96.4%): Fatal if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 55 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2-Chloro-3,5-dinitropyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 2 (96.4%)

Safety data

F: 10-21
wgk: 3
tsca: TSCA listed
rtecs: US6504750
ridadr: UN 2811 6.1/PG 2
hs_code: 2933 39 99
Toxicity: LD50 orally in Rabbit: 50 mg/kg
risk_code: 25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1A - Combustible, acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
Hazard statements: H300-H315-H319
Limited Quantities: 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P270-P280-P301+P310-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPyridine, 2-chloro-3,5-dinitro-: ACTIVE

Applications

Uses2-Chloro-3,5-dinitropyridine is used as efficient pie electron acceptor in the preparation of charge transfer complexes with aniline and its derivatives acting as donors.