Basic information
- CAS
33512-94-6- Standard SMILES
O=[N+]([O-])c1cccc(/C(Cl)=N\O)c1- InChIKey
LSAGTJSJWCRWAZ-VQHVLOKHSA-N- Molecular formula
- C7H5ClN2O3
- Average molar mass
- 200.58 g/mol
- Monoisotopic mass
- 199.9988697
Names & identifiers
- Preferred name
- (1E)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride
- IUPAC
- (1E)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride
- English name
- alpha-Chloro-3-nitrobenzaldoxime
- Molecular formula
- C7H5ClN2O3
- Molecular weight
- 200.58
Names & synonyms
MFCD0218350233512-94-6N-Hydroxy-3-nitrobenzimidoyl chloride(1E)-N-hydroxy-3-nitrobenzenecarboximidoyl chloridealpha-Chloro-3-nitrobenzaldoxime(Z)-N-hydroxy-3-nitrobenzene-1-carbonimidoyl chloridea-Chloro-3-nitrobenzaldoximeSCHEMBL4218702(1E)-N-hydroxy-3-nitro-benzimidoyl chloride-Chloro-3-nitrobenzaldoximeα-Chloro-3-nitrobenzaldoximeM-NITROBENZOHYDROXIMOYL CHLORIDE
Show more names
Benzenecarboximidoyl chloride, N-hydroxy-3-nitro-
Database identifiers
- CAS
33512-94-6- PubChem CID
- 5774548
- EC Number
- 672-359-7
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 93 · 93-95 °C
- Boiling point
- 367.2 · 367.2±44.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 9.98 · 9.98±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 (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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers8 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海摩纹医药科技有限公司13681854265 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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