Basic information
- CAS
13369-74-9- Standard SMILES
C=CCn1nc(C)cc1C- InChIKey
NXAGTQRRYZTDKV-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Names & identifiers
- Preferred name
- 1-Allyl-3,5-dimethylpyrazole
- IUPAC
- 3,5-dimethyl-1-prop-2-enylpyrazole
- English name
- 1-ALLYL-3 5-DIMETHYLPYRAZOLE 96
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
1-Allyl-3,5-dimethylpyrazoleRefChem:429085621-506-313369-74-91-Allyl-3,5-dimethyl-1H-pyrazole3,5-dimethyl-1-prop-2-enylpyrazoleMFCD00034407PYRAZOLE, 1-ALLYL-3,5-DIMETHYL-1-ALLYL-3 5-DIMETHYLPYRAZOLE 96BRN 06070583,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrazole5-23-05-00127 (Beilstein Handbook Reference)
Show more names
1-allyl-3,5-dimethyl-pyrazol1-ALLYL-3 5-DIMETHYLPYRAZOLE 961-Allyl-3,5-dimethylpyrazole >3,5-Dimethyl-1-(2-propen-1-yl)-1H-pyrazole1H-Pyrazole, 3,5-dimethyl-1-(2-propen-1-yl)-
1-allyl-3,5-dimethyl-pyrazoleSCHEMBL10712331DTXSID70158320Pyrazole, 3,5-dimethyl-1-allyl-AKOS0089686021-Allyl-3,5-dimethyl-1H-pyrazole #SY053409A1679
Database identifiers
- CAS
13369-74-9- PubChem CID
- 25930
- DTXSID
DTXSID70158320- EC Number
- 621-506-3
- Nikkaji
- J46.516J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 196 · 196-197 °C(lit.)
- Density
- 0.933 g/mL · 0.933 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4870(lit.)
- Flash point
- 176 °F · 176 °F
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Methanol
- form
- clear liquid
- pka
- 3.08 · 3.08±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H227-H315-H319
- Precautionary statements
- 210 e-P261-P280a-P305+P351+P338-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501 · P210e-P261-P280a-P305+P351+P338-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 4975000 · UQ4975000
- HS Code
- 2933.19 · 2933.19.4300
- Toxicity
- 50 · mouse,LD50,intraperitoneal,700mg/kg (700mg/kg),Farmakologiya i Toksikologiya Vol. 25, Pg. 27, 1962.
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- UQ4975000
- hs_code
- 2933.19.4300
- Toxicity
- mouse,LD50,intraperitoneal,700mg/kg (700mg/kg),Farmakologiya i Toksikologiya Vol. 25, Pg. 27, 1962.
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H335-H227-H315-H319
- Precautionary statements
- P210e-P261-P280a-P305+P351+P338-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Suppliers44 total
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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Aladdin Scientific[email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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