Basic information
- Standard SMILES
Cc1cc(C(=O)Cl)n(C)n1- InChIKey
ZIAPGUFDEJWQHC-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O
- Average molar mass
- 158.58 g/mol
- Monoisotopic mass
- 158.02469052
Names & identifiers
- Preferred name
- 2,5-Dimethyl-2H-pyrazole-3-carbonyl chloride
- IUPAC
- 2,5-dimethylpyrazole-3-carbonyl chloride
- English name
- 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride
- Molecular formula
- C6H7ClN2O
- Molecular weight
- 158.59
Names & synonyms
2,5-dimethyl-2h-pyrazole-3-carbonyl chlorideRefChem:444525673-138-81,3-Dimethyl-1H-pyrazole-5-carbonyl chloride55458-67-82,5-dimethylpyrazole-3-carbonyl chloride1,3-Dimethylpyrazole-5-carbonyl chlorideMFCD008332581,3-dimethyl-1H-pyrazole-5-carbonylchloride1,3-dimethylpyrazole-5-carboxylic acid chloride1H-Pyrazole-5-carbonyl chloride, 1,3-dimethyl-SCHEMBL387324
Show more names
BUTTPARK 37\06-97TIMTEC-BB SBB0054761,3-Dimethylpyrazole-5-carbonylhloride2,5-dimethyl-3-pyrazolecarbonyl chloride3-diMethyl-1H-pyrazole-5-carbonyl chloride1,3-Dimethyl-1H-pyrazol-5-carbonyl chloride
1,3 - Dimethyl - 1H - pyrazole - 5 - carbonyl chlorideDTXSID50371257ZIAPGUFDEJWQHC-UHFFFAOYSA-NALBB-031404STR07588SBB005476AKOS006230224BP-10856
Database identifiers
- CAS
55458-67-8- PubChem CID
- 2736299
- DTXSID
DTXSID50371257- EC Number
- 673-138-8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 80 °C · 80°C 15mm
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 0.33 · 0.33±0.10(Predicted)
- form
- solid
- color
- Brown
- CAS DataBase Reference
- 55458 · 55458-67-8(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-EUH029
- Precautionary statements
- 260 · P260-P271
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · 3261
- Hazard Note
- Irritant/Corrosive
- HazardClass
- IRRITANT
- HS Code
- 29331990 · 29331990
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 3261
- hs_code
- 29331990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant/Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- IRRITANT
- Hazard statements
- H314-EUH029
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P271
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers33 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [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; 13761987713 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
上海伯倚化工科技有限公司021-54096810 18017263450 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
上海相辉医药科技有限公司[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
151 records
Linked notes
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