Basic information
- CAS
39745-39-6- Standard SMILES
Cc1ccc([N+](=O)[O-])c(=O)[nH]1- InChIKey
YVYDGIGILRUPED-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.03784205
Names & identifiers
- Preferred name
- 2-Hydroxy-6-methyl-3-nitropyridine
- IUPAC
- 6-methyl-3-nitro-1H-pyridin-2-one
- English name
- 6-Hydroxy-5-nitro-2-picoline
- Molecular formula
- C6H6N2O3
- Molecular weight
- 154.12
Names & synonyms
39745-39-62-Hydroxy-6-methyl-3-nitropyridineDTXSID90337478RefChem:87462DTXCID80288566625-238-8YVYDGIGILRUPED-UHFFFAOYSA-N6-methyl-3-nitropyridin-2-ol6-Hydroxy-5-nitro-2-picoline6-methyl-3-nitro-1H-pyridin-2-one2-hydroxy-3-nitro-6-methylpyridine6-methyl-3-nitro-2(1h)-pyridinone
Show more names
3-NITRO-6-METHYLPYRIDIN-2-OL6-Methyl-3-nitro-2-pyridinol6-METHYL-3-NITRO-PYRIDIN-2-OLHYDROXY-6-METHYL-3-NITROPYRIDINE6-Hydroxy-5-nitro-2-picoline,99%
MFCD030014142-Hydroxy-3-nitro-6-picoline6-methyl-3-nitro-1,2-dihydropyridin-2-one6-methyl-3-nitropyridin-2(1h)-one6-Methyl-3-nitro-2-pyridinol #AC-23066SY011619N11927
Database identifiers
- CAS
39745-39-6- PubChem CID
- 543029
- DTXSID
DTXSID90337478- EC Number
- 625-238-8
- Nikkaji
- J1.584.475B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 225 · 225-226 C
- Boiling point
- 277.46 °C · 277.46°C (rough estimate)
- Density
- 1.4564 · 1.4564 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 8.47 · 8.47±0.10(Predicted)
- color
- Light yellow to Brown to Dark green
- InChI
- 1S/C6H6N2O3/c1-4-2-3-5(8(10)11)6(9)7-4/h2-3H,1H3,(H,7,9)
- InChIKey
- YVYDGIGILRUPED-UHFFFAOYSA-N
- SMILES
- Cc1ccc(c(O)n1)[N+]([O-])=O
- CAS DataBase Reference
- 39745 · 39745-39-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-41-37/38-22
- Safety Statements
- 37 · 37/39-26-36-39
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 29337900 · 29337900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
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
Danger
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29337900
- risk_code
- 36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 37/39-26-36-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Hydroxy-6-methyl-3-nitropyridine is a water soluble compound that has been used for the treatment of tuberculosis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海今寅生物科技有限公司021-20986266 18019349802 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京德豪斯医药科技有限公司025-52161033 15312098939 · [email protected]
Aladdin Scientific[email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Jinan Dexinjia Bio&Tech Co., Ltd+86-0531-82375818 +86-15064153060 · [email protected]
济南德信佳生物科技有限公司0531-82375886 13001715031 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
沈阳天火同人化工有限公司（中孚大有医药）+86(24) 31938773(O) · [email protected]
苏州启航生物科技有限公司18151111370
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
百盛HK进出口有限公司+86-18068513926
天津津御达化工科技有限公司022-58013646 13011382049 · [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
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]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津安浩生物科技有限公司[email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
凯试（上海）科技有限公司021-50135380 · [email protected]
上海市凯瑜琳医药科技有限公司021-18721936-595 18721936595 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
3 records
Compound notes
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