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Basic information
- CAS
6307-82-0- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])ccc1Cl- InChIKey
VCYWZLGOWNCJNJ-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO4
- Average molar mass
- 215.59 g/mol
- Monoisotopic mass
- 214.9985354
Names & identifiers
- Preferred name
- Methyl 2-chloro-5-nitrobenzoate
- IUPAC
- methyl 2-chloro-5-nitrobenzoate
- English name
- Methyl 2-chloro-5-nitrobenzoate
- Molecular formula
- C8H6ClNO4
- Molecular weight
- 215.59
Names & synonyms
Methyl 2-chloro-5-nitrobenzoate6307-82-0RefChem:814306613-139-22-Chloro-5-nitrobenzoic acid methyl esterBENZOIC ACID, 2-CHLORO-5-NITRO-, METHYL ESTERMFCD001845872-chloro-5-nitro-benzoic acid methyl esterMethylester kyseliny 2-chlor-5-nitrobenzoove [Czech]SCHEMBL422653DTXSID90212397NSC-44287
Show more names
RARECHEM AL BF 0191Methyle2-chloro-5-nitrobenzoateMethyl 2-Chloro-5-nitrobenzoate >5-Nitro-2-chlorobenzoic acid methyl2-Chloro-5-nitrobenzoic acid methyl2-chloro-5-nitro-benzoicacimethylester4-Chloro-3-(methoxycarbonyl)nitrobenzene
SY007297C17326W-0299Z19718166Methyl 2-chloro-5-nitrobenzenecarboxylateBRN 1966320Methyl2-Chloro-5-nitrobenzoateMethylester kyseliny 2-chlor-5-nitrobenzoove
Database identifiers
- CAS
6307-82-0- PubChem CID
- 22754
- DTXSID
DTXSID90212397- ChEMBL
CHEMBL2260451、CHEMBL5583872- UNII
- L7RN5S2SA7
- EC Number
- 613-139-2
- Nikkaji
- J47.495I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 69 · 69-73 °C(lit.)
- Boiling point
- 316.7 · 316.7±22.0 °C(Predicted)
- Density
- 1.4928 · 1.4928 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Store at room temperature
- form
- Crystalline Powder
- color
- Cream
- Water Solubility
- Soluble in methanol. Insoluble in water.
- CAS DataBase Reference
- 6307 · 6307-82-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H320
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
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 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)；Eye Irrit. 2A (100%)；STOT SE 3 (83.3%)
Safety data
- wgk
- 2
- rtecs
- DG5426500
- hs_code
- 2921490090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
Chemistry & industry
Applications
UsesMethyl 2-chloro-5-nitrobenzoate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Upstream & downstream products
Downstream products
Suppliers89 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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Related reactions
20 records
Compound notes
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