Basic information
- CAS
78238-14-9- Standard SMILES
O=C(O)c1cc(O)cc([N+](=O)[O-])c1- InChIKey
ZVLLYIMPDTXFNC-UHFFFAOYSA-N- Molecular formula
- C7H5NO5
- Average molar mass
- 183.12 g/mol
- Monoisotopic mass
- 183.01677226
Names & identifiers
- Preferred name
- 3-Hydroxy-5-nitrobenzoic acid
- IUPAC
- 3-hydroxy-5-nitrobenzoic acid
- English name
- 3-Hydroxy-5-nitrobenzoic acid
- Molecular formula
- C7H5NO5
- Molecular weight
- 183.12
Names & synonyms
3-hydroxy-5-nitrobenzoic acid78238-14-9DTXSID50356201RefChem:94196DTXCID20307260686-948-1MFCD010982123-hydroxy-5-nitro-benzoic acidBenzoic acid, 3-hydroxy-5-nitro-5-hydroxy-3-nitrobenzoic acid3-HYDROXY-5-NITROBENZOICACID5GR4NH93YU
Show more names
3-Hydroxy-5-nitrobenzoic acid 97%3-Hydroxy-5-nitrobenzoic acid - [H71959]
Oprea1_840893AO-801/41077444SCHEMBL417424SCHEMBL31022463ZVLLYIMPDTXFNC-UHFFFAOYSA-NSBB0899913-Hydroxy-5-nitrobenzoic acid, 97%3-NITRO-5-HYDROXYBENZOIC ACID
Database identifiers
- CAS
78238-14-9- PubChem CID
- 820393
- DTXSID
DTXSID50356201- UNII
- 5GR4NH93YU
- EC Number
- 686-948-1
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 190 · 190-195 °C
- Boiling point
- 423.5 · 423.5±40.0 °C(Predicted)
- Density
- 1.631 · 1.631±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 3.36 · 3.36±0.10(Predicted)
- form
- Solid
- color
- Light Yellow
- Stability
- Hygroscopic
- InChI
- 1S/C7H5NO5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)
- InChIKey
- ZVLLYIMPDTXFNC-UHFFFAOYSA-N
- SMILES
- Oc1cc(cc(c1)[N+]([O-])=O)C(O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 2916399090 · 2916399090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2916399090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers74 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
天津津御达化工科技有限公司022-58013646 13011382049 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [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]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
上海威尔舒氪医药科技有限公司15250615384
山东伯恩医药有限公司15865694623 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
南京络达化工有限公司025-66016961 13382082786
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
苏州孚伊洛生物科技有限公司0512-87819718 18912655635 · [email protected]
Related reactions
9 records
Compound notes
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