Basic information
- CAS
85-38-1- Standard SMILES
O=C(O)c1cccc([N+](=O)[O-])c1O- InChIKey
WWWFHFGUOIQNJC-UHFFFAOYSA-N- Molecular formula
- C7H5NO5
- Average molar mass
- 183.12 g/mol
- Monoisotopic mass
- 183.01677226
Names & identifiers
- Preferred name
- 3-Nitrosalicylic acid
- IUPAC
- 2-hydroxy-3-nitrobenzoic acid
- English name
- 3-Nitrosalicylic acid
- Molecular formula
- C7H5NO5
- Molecular weight
- 183.12
Names & synonyms
3-Nitrosalicylic acid2-Hydroxy-3-nitrobenzoic acidSalicylic acid, 3-nitro-Benzoic acid, 2-hydroxy-3-nitro-NSC 182Salicylic acid, 3-nitroBRN 2213132UNII-47661X4L2CAI3-08930DTXSID80234048NSC-18247661X4L2C
Show more names
Aids019404AKOS 94104Aids-019404AURORA KA-2532RARECHEM AL BE 02723-nitro-salicylicaciMesalazine Impurity R
4-10-00-00228 (Beilstein Handbook Reference)3-NITROSALICYLIC ACID [MI]MESALAZINE IMPURITY R [EP IMPURITY]MESALAZINE IMPURITY R (EP IMPURITY)RefChem:95051DTXCID80156539628-816-8WWWFHFGUOIQNJC-UHFFFAOYSA-N
Database identifiers
- CAS
85-38-1- PubChem CID
- 6807
- DTXSID
DTXSID80234048- UNII
- 47661X4L2C
- EC Number
- 628-816-8
- Nikkaji
- J3.886E
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 142 · 142-147 °C
- Boiling point
- 316.77 °C · 316.77°C (rough estimate)
- Density
- 1.6074 · 1.6074 (rough estimate)
- refractive index
- 1.628 · 1.6280 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- pka
- 1 · pK1:1.87 (25°C)
- form
- Solid
- color
- Pale Beige to Beige
- Water Solubility
- 1.3 g/L · 1.3g/L(16 ºC)
- Merck
- 14 · 14,6631
- BRN
- 2213132 · 2213132
- InChI
- InChI=1S/C7H5NO5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)
- InChIKey
- WWWFHFGUOIQNJC-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC([N+]([O-])=O)=C1O
- CAS DataBase Reference
- 85 · 85-38-1(CAS DataBase Reference)
- FDA UNII
- 47661 X4L2C · 47661X4L2C
- NIST Chemistry Reference
- 3 · Salicylic acid, 3-nitro(85-38-1)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 5300000 · VO5300000
- HS Code
- 29182900 · 29182900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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 42 reports by companies from 5 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- VO5300000
- hs_code
- 29182900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesA nitrohumic acid which has been shown to bind to Molybdenum to impart fertility to soil and water and is a key element in the activity of nitrogenase.
Uses3-Nitrosalicylic acid (3NSA) is generally used as a corrosion inhibitor. It can be used as a supporting electrolyte for the electrodeposition of pyrrole on zinc for corrosion protection. 3NSA can also be used as a ligand for the synthesis of complexes with iron and aluminum for chelating therapy.
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]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
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环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安徽省大利生物科技有限责任公司15705632007
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Syntechem Co.,Ltd[email protected]
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深圳市简一生物科技有限公司0755-84826604 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
TCI AMERICA800-4238616 · [email protected]
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上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
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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]
凯试（上海）科技有限公司021-50135380 · [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]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
浙江泽天精细化工有限公司0571-87322520 18957127338 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
BOC Sciences16314854226 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Related reactions
40 records
Compound notes
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