Basic information
- CAS
694-48-4- Standard SMILES
Cc1ccn(C)n1- InChIKey
NODLZCJDRXTSJO-UHFFFAOYSA-N- Molecular formula
- C5H8N2
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.06874826
Names & identifiers
- Preferred name
- 1H-Pyrazole, 1,3-dimethyl-
- IUPAC
- 1,3-dimethylpyrazole
- English name
- 1,3-Dimethylpyrazole
- Molecular formula
- C5H8N2
- Molecular weight
- 96.13
Names & synonyms
694-48-41,3-Dimethyl-1H-pyrazole1H-Pyrazole, 1,3-dimethyl-DTXSID90219523NSC 190569RefChem:438924DTXCID40142014689-662-51,3-Dimethylpyrazole2,5-DimethylpyrazolePyrazole, 1,3-dimethyl-MFCD00036665
Show more names
EOS-608283-DiMethylpyrazole1,3-Dimethylpyrazole>1,3- two Methylpyrazole1H-Pyrazole,1,3-diMethyl-1,3-Dimethylpyrazole, 97%1,3-DiMethylpyrazole, 98.0%,(GC)
374FP5RCE4NSC-190569N2-(1-Oxodecyl)-L-arginyl-L-valyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(chloroacetyl)butyl]-L-lysinamide2,5-Dimethylpyrazole; NSC 190569;dimethyl 1h pyrazolPyrazole,3-dimethyl-1H-Pyrazole,3-dimethyl-UNII-374FP5RCE4
Database identifiers
- CAS
694-48-4- PubChem CID
- 79096
- DTXSID
DTXSID90219523- UNII
- 374FP5RCE4
- EC Number
- 689-662-5
- Nikkaji
- J47.750H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 63.1
Physicochemical properties
- Melting point
- 82.75 °C · 82.75°C (estimate)
- Boiling point
- 138 °C · 138°C(lit.)
- Density
- 0.9561 · 0.9561
- refractive index
- 1.47 to · 1.4700 to 1.4740
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly)
- form
- Oil
- pka
- 2.72 · 2.72±0.10(Predicted)
- color
- Colourless
- λmax
- 221 nm · 221nm(EtOH)(lit.)
- CAS DataBase Reference
- 694 · 694-48-4(CAS DataBase Reference)
- FDA UNII
- 374 FP5RCE4 · 374FP5RCE4
- NIST Chemistry Reference
- 1 · 1,3-Dimethylpyrazole(694-48-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xi
- RIDADR
- 1993 · UN 1993 3/PG III
- HazardClass
- IRRITANT
- PackingGroup
- III
- HS Code
- 2933199090 · 2933199090
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 06-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/28365
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- UN 1993 3/PG III
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- packing_group
- III
- Hazard statements
- H302-H315-H319-H332-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,3-Dimethylpyrazole (cas# 694-48-4) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Hangzhou Verychem Science And Technology Co.Ltd+86-86-57188162785 +8613606544505 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海忝晴化工有限公司+8613816254020 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
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湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
江苏明化合晟生物科技有限公司0519-85170101 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
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上海博熠生物医药科技有限公司021-021-54331997 18321536537 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Related reactions
11 records
Compound notes
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