2,4-Dichloropyrimidine-5-carbonyl chloride (HCID 13784112)

Names & identifiers

Preferred name: 2,4-Dichloropyrimidine-5-carbonyl chloride
IUPAC: 2,4-dichloropyrimidine-5-carbonyl chloride
English name: 2,4-Dichloro-5-pyrimidinecarbonyl chloride
Molecular formula: C5HCl3N2O
Molecular weight: 211.43

Names & synonyms

2972-52-32,4-dichloropyrimidine-5-carbonyl chlorideDTXSID10549399RefChem:246358DTXCID70500183638-925-22,4-Dichloro-5-pyrimidinecarbonyl chlorideMFCD097424325-PYRIMIDINECARBONYL CHLORIDE, 2,4-DICHLORO-SCHEMBL4299692,4-Dichloro-pyrimidine-5-carbonyl ChlorideCS-W003626

Show more names

2,4-Dichloro-5-pyrimidinecarboxylic acid chlorideRSYY（Avanafil)-465-(Chlorocarbonyl)-2,4-dichlo2,4-dichloro-5-pyrimidinyl chloride5-(Chlorocarbonyl)-2,4-dichloropyrimidine2,3-Dichloro-5-pyrimidine carbonyl chloride2,4-DichloropyriMidine-5-carbonyl chloride 97%

2,4-Dichloropyrimidine-5-carbonyl chloride, 97%2,4-Dichloro-5-pyrimidinecarbonylchlorideA5516SCHEMBL31469871DZTIFMWYYHCREC-UHFFFAOYSA-N1,2-NAPHTHOQUINONE-4-SUSBB067931AKOS000149268

Database identifiers

CAS: 2972-52-3
PubChem CID: 13784112
DTXSID: DTXSID10549399
EC Number: 638-925-2

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 42.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 166

Physicochemical properties

Boiling point: 83 °C · 83 °C(Press: 0.05 Torr)
Density: 1.645 g/mL · 1.645 g/mL at 25 °C
refractive index: 20 · n20/D1.586
Flash point: 93 ℃ · 93℃
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: liquid
pka: -5.08 · -5.08±0.29(Predicted)
color: Clear, colourless
InChI: InChI=1S/C5HCl3N2O/c6-3-2(4(7)11)1-9-5(8)10-3/h1H
InChIKey: DZTIFMWYYHCREC-UHFFFAOYSA-N
SMILES: C(Cl)(C1=CN=C(Cl)N=C1Cl)=O
CAS DataBase Reference: 2972 · 2972-52-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H314
Precautionary statements: 261 · P261-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes: C,Xi
Risk Statements: 20 · 20/21/22-34
Safety Statements: 6 · 6-7/9-24/25-26-36/37/39-51
RIDADR: 3265 · 3265
WGK Germany: 3 · 3
HazardClass: IRRITANT, CORROSIVE
PackingGroup: Ⅲ
HS Code: 2933599590 · 2933599590
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

Safety data

wgk: 3
ridadr: 3265
hs_code: 2933599590
risk_code: 20/21/22-34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi
safety_code: 6-7/9-24/25-26-36/37/39-51
hazard_class: IRRITANT, CORROSIVE
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: Ⅲ
Hazard statements: H302+H312+H332-H314
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
Precautionary statements: P261-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338