4-Bromo-3,5-dimethylphenyl N-methylcarbamate
Basic information
- CAS
672-99-1- Standard SMILES
CNC(=O)Oc1cc(C)c(Br)c(C)c1- InChIKey
ZOZFMTULOYRWEL-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO2
- Average molar mass
- 258.11 g/mol
- Monoisotopic mass
- 257.00514
Names & identifiers
- Preferred name
- 4-Bromo-3,5-dimethylphenyl N-methylcarbamate
- IUPAC
- (4-bromo-3,5-dimethylphenyl) N-methylcarbamate
- English name
- BDMC
- Molecular formula
- C10H12BrNO2
- Molecular weight
- 258.11
Names & synonyms
4-Bromo-3,5-dimethylphenyl N-methylcarbamateRefChem:519839623-538-3672-99-14-Bromo-3,5-Dimethylphenyl-N-Methylcarbamate(4-bromo-3,5-dimethylphenyl) N-methylcarbamate4-Bromo-3,5-dimethylphenyl methylcarbamateBDMC, analytical standardSCHEMBL7649071DTXSID701016588MFCD00027941AKOS015916182
Show more names
BDMC-1BDMC400 μg/mL in MethanolBDMC ISO 9001：2015 REACHBDMC Solution in MethanolASTM Carbamate Surrogate StandardDimethyldithiocarbamic acid, bismuth salt4-Bromo-3,5-dimethylphenyl-N-methylcarbamate (BDMC)
DB-0550124-Bromo-35-dimethylphenyl-N-methylcarbamateNS000739014-bromo-3,5-dimethyl phenyl-N-methyl carbamate(4-bromo-3,5-dimethyl-phenyl) N-methylcarbamate4-Bromo-3,5-dimethylphenyl N-methylcarbamate, 98%InChI=1/C10H12BrNO2/c1-6-4-8(14-10(13)12-3)5-7(2)9(6)11/h4-5H,1-3H3,(H,12,13
Database identifiers
- CAS
672-99-1- PubChem CID
- 688148
- DTXSID
DTXSID701016588- EC Number
- 623-538-3
- Nikkaji
- J1.472.318H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 114 · 114-116 °C (lit.)
- Boiling point
- 315.5 · 315.5±42.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- pka
- 11.85 · 11.85±0.46(Predicted)
- InChI
- 1S/C10H12BrNO2/c1-6-4-8(14-10(13)12-3)5-7(2)9(6)11/h4-5H,1-3H3,(H,12,13)
- InChIKey
- ZOZFMTULOYRWEL-UHFFFAOYSA-N
- SMILES
- CNC(=O)Oc1cc(C)c(Br)c(C)c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- 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
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)
Aggregated GHS information provided per 42 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 36/37/38-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 26-37/39-45
- 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
Uses4-Bromo-3,5-dimethylphenyl N-methylcarbamate (BDMC) may be employed as internal standard:for the quantification of carbamate pesticides in water samples using solid phase microextraction combined with gas chromatography-triple quadrupole mass spectrometryduring the LC-MS-MS analysis of N-methyl carbamate pesticide residues in vegetables and grains
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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