3,5-Dimethylpyrazole (HCID 6210)

Überblick

3,5-Dimethylpyrazole is a member of pyrazoles.

Namen und Bezeichner

Bevorzugter Name: 3,5-Dimethylpyrazole
IUPAC: 3,5-dimethyl-1H-pyrazole
Lokaler Name: 3,5-Dimethylpyrazol
Englischer Name: 3,5-Dimethylpyrazole
Summenformel: C5H8N2
Molmasse: 96.13

Namen und Synonyme

3,5-Dimethylpyrazole67-51-61H-Pyrazole, 3,5-dimethyl-PYRAZOLE, 3,5-DIMETHYL-3,5 DMPTH 564U 6245H21N865K9JNSC-8729TRIXENE DP 8692DTXSID5058777TH-564

Weitere Namen anzeigen

DimethylPyrazole3,5-DIMETHYLPYRAZOLth564u6245TIMTEC-BB SBB004377,5-Dimethylpyrazole

U-6245RefChem:91615DTXCID1044853200-657-53,5-Dimethyl-1H-pyrazoleMFCD000052433,5-DwumetylopirazoluNSC 8729

Datenbank-Bezeichner

CAS: 67-51-6
PubChem CID: 6210
DTXSID: DTXSID5058777
ChEMBL: CHEMBL1828957
ChEBI: CHEBI:229331
UNII: H21N865K9J
EC Number: 200-657-5
Nikkaji: J41.163I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 63,1

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyrazoles

SpringerMaterials PropertiesSchoenflies notation

Vapor Pressure0.14 [mmHg]

Physical Description · 2 Einträge

CBI

White crystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 105 · 105-108 °C (lit.)
Siedepunkt: 218 °C · 218 °C (lit.)
Dichte: 0 · 0,884 g/cm3
Brechungsindex: 1.4739 · 1.4739 (estimate)
Flammpunkt: 210 °C · 210°C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: 0.1 g/mL, · methanol: 0.1 g/mL, clear
pka: 15.12 · 15.12±0.10(Predicted)
Aggregatzustand: Crystalline Powder or Crystals
Farbe: White to almost white
PH: 6.7 · 6.7 (14g/l, H2O, 20℃)
Wasserlöslichkeit: 0.1 g/mL · Soluble in water, methanol 0.1 g/mL.
BRN: 106325 · 106325
InChI: 1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)
InChIKey: SDXAWLJRERMRKF-UHFFFAOYSA-N
SMILES: Cc1cc(C)[nH]n1
LogP: 1.01 · 1.010
CAS Datenbank: 67 · 67-51-6(CAS DataBase Reference)
NIST chemische Informationen: 1 H-Pyrazole, · 1H-Pyrazole, 3,5-dimethyl-(67-51-6)
EPA chemische Informationen: 3 · 3,5-Dimethylpyrazole (67-51-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 4.5% (10 of 220) of reports.

Warning

H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 220 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1H-Pyrazole, 3,5-dimethyl-

1H-Pyrazole, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Pyrazole, 3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 01-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5791

1H-Pyrazole, 3,5-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards Summary · 1 Eintrag

Causes general anesthesia and ataxia in oral lethal-dose studies of mice; [RTECS] Prolonged or repeated exposure may cause liver injury; Suspected of being toxic to fertility or the developing child; [ECHA REACH Registrations] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (92.7%)

Acute toxicity (Oral) - Category 4

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29331990
RTECS-Nr.: UQ6477600
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 13 - Non Combustible Solids
Hazard Classifications: Acute Tox. 4 OralSTOT RE 2

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to formulate polymer preparations and compounds and to make plastic products and fine chemicals; [ECHA REACH Registrations]

U.S. Production2023: <75,000 lb

Industry UsesSolvent

General Manufacturing Information · 2 Einträge

Miscellaneous Manufacturing

1H-Pyrazole, 3,5-dimethyl-: ACTIVE

Anwendungen

Verwenden3,5-Dimethylpyrazole is used as intermediate for the manufacture of organic dyestuffs and photochemicals. Product Data Sheet

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

1H-Pyrazole, 3,5-dimethyl-1-[2-[(4-methylphenyl)sulfonyl]ethyl]-1-(4-methoxyphenyl)-3,5-dimethyl-1H-Pyrazole ETHYL 3-AMINO-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE 1-ALLYL-3 5-DIMETHYLPYRAZOLE 96 1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE 4-Brom-3,5-dimethyl-1H-pyrazol Semicarbazidhydrochlorid Hydrazine hydrate Pentan-2,3-dion

Nachgelagerte Produkte

(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYLAMINE 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde 4-Bromo-1,3,5-trimethyl-1H-pyrazole 1,3,5-Trimethylpyrazole 1H-Pyrazole-4-carbonyl chloride, 1,3,5-trimethyl- (9CI)Pyrazol-3,5-dicarbonsuremonohydrat 3,5-DIMETHYLPYRAZOLE-1-METHANOL 1,4-Dioxaspiro[4.5]decan-8-one DIETHYL 3,5-PYRAZOLEDICARBOXYLATE 3,5-Dimethyl-1H-pyrazol-4-amin Benzenesulfonic acid, 3-[2-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-, sodium salt (1:1)

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

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