Basic information
- CAS
6575-07-1- Standard SMILES
N#Cc1c(Cl)cccc1[N+](=O)[O-]- InChIKey
ZHLCARBDIRRRHD-UHFFFAOYSA-N- Molecular formula
- C7H3ClN2O2
- Average molar mass
- 182.56 g/mol
- Monoisotopic mass
- 181.988305
Names & identifiers
- Preferred name
- 6-Chloro-2-nitrobenzonitrile
- IUPAC
- 2-chloro-6-nitrobenzonitrile
- English name
- 2-Chloro-6-nitrobenzonitrile
- Molecular formula
- C7H3ClN2O2
- Molecular weight
- 182.56
Names & synonyms
2-Chloro-6-nitrobenzonitrile6575-07-16-Chloro-2-nitrobenzonitrileDTXSID80215953EINECS 229-496-9RefChem:541569DTXCID10138444229-496-92-chloro-6-nitro-benzonitrileMFCD00007203Benzonitrile, 2-chloro-6-nitro-2-nitro-6-chloro-benzonitrile
Show more names
3-CHLORO-2-CYANONITROBENZENE6-Nitro-2-chlorobenzonitrile2-Nitro-6-chlorobenzonitrile2-chloro-6-nitro-benzenecarbonitrile
QQR38S559TSCHEMBL29501213-Chloro-2-cyano-1-nitrobenzene6-Chloro-2-nitrobenzonitrile, 98%SBB064289AKOS015851203AC-4053BS-22887
Database identifiers
- CAS
6575-07-1- PubChem CID
- 81053
- DTXSID
DTXSID80215953- UNII
- QQR38S559T
- EC Number
- 229-496-9
- Nikkaji
- J124.101J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 116 · 116-118 °C(lit.)
- Boiling point
- 333.5 · 333.5±27.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- BRN
- 1369781 · 1369781
- InChI
- 1S/C7H3ClN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H
- InChIKey
- ZHLCARBDIRRRHD-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1cccc(Cl)c1C#N
- CAS DataBase Reference
- 6575 · 6575-07-1(CAS DataBase Reference)
- FDA UNII
- 38 S559T · QQR38S559T
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
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, P317, 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 43 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-37/39-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
Chemistry & industry
Applications
Uses6-Chloro-2-nitrobenzonitrile was used as reagent during the synthesis of benzo[b]thiophene-2-carboxylate esters.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers51 total
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]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Related reactions
5 records
Compound notes
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