n,n-Bis(2-chloro-6-fluorobenzyl)hydroxylamine
Basic information
- CAS
175136-75-1- Standard SMILES
ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl- InChIKey
MIUDTZXWNHEWKG-UHFFFAOYSA-N- Molecular formula
- C14H11Cl2F2NO
- Average molar mass
- 318.1 g/mol
- Monoisotopic mass
- 317.0185757
Names & identifiers
- Preferred name
- n,n-Bis(2-chloro-6-fluorobenzyl)hydroxylamine
- IUPAC
- N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine
- English name
- N,N-Bis(2-chloro-6-fluorobenzyl)hydroxylamine
- Molecular formula
- C14H11Cl2F2NO
- Molecular weight
- 318.15
Names & synonyms
175136-75-1n,n-bis(2-chloro-6-fluorobenzyl)hydroxylamineN,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamineN,N-di(2-chloro-6-fluorobenzyl)hydroxylamineN,N-Bis-(2-chloro-6-fluorobenzyl)hydroxylaminen, n-di(2-chloro-6-fluorobenzyl)hydroxylamineMFCD00052426C14H11Cl2F2NOCDS1_000518Maybridge1_002806MLS000851312DivK1c_001558
Show more names
N,N-Bis(2-chloro-6-fluorobenzyl)hydroxylamine97%N,N-Bis(2-chloro-6-fluorobenzyl)hydroxylamine 97%Benzenemethanamine, 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-hydroxy-
CHEMBL1509567SCHEMBL13624826HMS549H12DTXSID20371082HMS2785J22AKOS015850157CCG-242717FS-5114
Database identifiers
- CAS
175136-75-1- PubChem CID
- 2736012
- DTXSID
DTXSID20371082- ChEMBL
CHEMBL1509567- EC Number
- 671-977-4
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 169 °C · 169 °C
- Boiling point
- 424.6 · 424.6±45.0 °C(Predicted)
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- pka
- 11.19 · 11.19±0.69(Predicted)
- CAS DataBase Reference
- 175136 · 175136-75-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
- ridadr
- UN3259
- hs_code
- 2928009090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- 8
- Hazard statements
- H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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