Basic information
- CAS
1739-84-0- Standard SMILES
Cc1nccn1C- InChIKey
GIWQSPITLQVMSG-UHFFFAOYSA-N- Molecular formula
- C5H8N2
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.06874826
Overview
1,2-dimethylimidazole is a member of imidazoles.
Names & identifiers
- Preferred name
- 1,2-Dimethylimidazole
- IUPAC
- 1,2-dimethylimidazole
- English name
- 1,2-Dimethylimidazole
- Molecular formula
- C5H8N2
- Molecular weight
- 96.13
Names & synonyms
1,2-Dimethylimidazole1739-84-01H-Imidazole, 1,2-dimethyl-Q41BC3GRJBNSC-111174DTXSID2061939RefChem:411784DTXCID3035551217-101-21,2-Dimethyl-1H-imidazoleImidazole, 1,2-dimethyl-N,2-Dimethylimidazole
Show more names
DiMethyliMidazole1,2-dimethyl-1h-imidazol39-41℃1,2-DimethyLLupragen DMILUPRAGEN(R) DMIAKOS BBS-00004287
MFCD00005294NSC 1111741,2-dimethylimidazol1,2-Dimethylimidazole, >98%1H-Imidazole, dimethyl-EINECS 217-101-2UNII-Q41BC3GRJBNSC111174
Database identifiers
- CAS
1739-84-0- PubChem CID
- 15617
- DTXSID
DTXSID2061939- ChEBI
CHEBI:190967- UNII
- Q41BC3GRJB
- EC Number
- 217-101-2
- Nikkaji
- J132.800J
Properties
Computed structural properties
- XLogP
- 0.4
- 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
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Imidazoles
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density1.084 @25 °C
Boiling Point204 °C @760 [mm Hg]
Vapor Pressure1 [mm Hg] @20 °C
Physical Description
Liquid; Other Solid
Solid; mp = 37-39 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 37 · 37-39 °C (lit.)
- Boiling point
- 204 °C · 204 °C (lit.)
- Density
- 1.084 g/mL · 1.084 g/mL at 25 °C (lit.)
- vapor pressure
- 1 mm · 1 mm Hg ( 20 °C)
- refractive index
- 1.5 · 1.5000 (estimate)
- Flash point
- 198 °F · 198 °F
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 7.76 · 7.76±0.25(Predicted)
- form
- Low Melting Mass
- Specific Gravity
- 1.084 · 1.084
- color
- Colorless to yellow
- PH
- 12.6 · 12.6 (500g/l, H2O, 20℃)
- Odor
- Amine-like odor
- Water Solubility
- Soluble in water.
- BRN
- 108457 · 108457
- Henry's Law Constant
- 4.3 · 4.3×101 mol/(m3Pa) at 25℃, Du et al. (2017)
- InChI
- 1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3
- InChIKey
- GIWQSPITLQVMSG-UHFFFAOYSA-N
- SMILES
- Cc1nccn1C
- LogP
- 0.11 at · 0.11 at 25℃
- CAS DataBase Reference
- 1739 · 1739-84-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 41 BC3GRJB · Q41BC3GRJB
- NIST Chemistry Reference
- 1 H-Imidazole, · 1H-Imidazole, 1,2-dimethyl-(1739-84-0)
- EPA Substance Registry System
- 1 H-Imidazole, · 1H-Imidazole, 1,2-dimethyl- (1739-84-0)
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-38-41
- Safety Statements
- 24 · 24-26-2
- RIDADR
- 3263 · UN 3263 8/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 4838854 · NI4838854
- Autoignition Temperature
- 896 °F · 896 °F
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29332990 · 29332990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
- Toxicity
- 50 orally · LD50 orally in Rabbit: 1300 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1H-Imidazole, 1,2-dimethyl-
1H-Imidazole, 1,2-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole, 1,2-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: 05-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11565
1,2-Dimethylimidazole: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses tremor and convulsions in intraperitoneal lethal-dose studies of mice; [RTECS] A skin and strong eye irritant (may cause eye injury); Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety & protection
Protective Action Criteria (PAC)
3.9 [mg/m3]
43 [mg/m3]
260 [mg/m3]
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- NI4838854
- ridadr
- UN 3263 8/PG 2
- hs_code
- 29332990
- Toxicity
- LD50 orally in Rabbit: 1300 mg/kg
- risk_code
- 22-38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 24-26-2
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302-H315-H318
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
- Autoignition Temperature
- 896 °F
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesCatalyst
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1H-Imidazole, 1,2-dimethyl-: ACTIVE
Applications
Uses1,2-Dimethylimidazole is used in the synthesis of 1,2-dimethyl-3-n-butylimidazoliumchloride and 1,2-dimethyl-3-n-propylimidazolium chloride. It also can be used in the synthesis of 1-(2-methoxyethyl)-2,3-dimethylimidazolium chloride and hexafluorophosphate salts.
Uses1,2-Dimethylimidazole was used in the synthesis of 1,2-dimethyl-3-n-butylimidazoliumchloride and 1,2-dimethyl-3-n-propylimidazolium chloride. It was also used in the synthesis of 1-(2-methoxyethyl)-2,3-dimethylimidazolium chloride and hexafluorophosphate salts.
General Description1,2-Dimethylimidazole reacts with copper(II) tetraacetate to yield cis-bis(acetato)bis(1,2-dimethylimidazole) copper(II) complex. It undergoes Menschutkin reaction with benzyl bromide to yield 3-benzyl-1,2-dimethylimidazolium bromide and kinetics of reaction was studied in various ionic liquids and molecular organic solvents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉吉业升化工有限公司13545274181 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
泰州志诚化工科技有限公司0523-82837785 13914525028 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
南京诺利斯医药科技有限公司13901585132 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
苏州安尼康药物研发有限公司0512-69369885 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
山东新阳化工有限公司13287720377 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
南京一番化成生物科技有限公司025-025-52700520 18914499889
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
Additional notes
DefinitionChEBI: 1,2-dimethylimidazole is a member of imidazoles.
Related reactions
40 records
Compound notes
Loading…