propan-2-yl N-(3-chlorophenyl)carbamate

• ChemBase ID: 130599
• Molecular Formular: C10H12ClNO2
• Molecular Mass: 213.66078
• Monoisotopic Mass: 213.05565631
• SMILES: CC(C)OC(=O)Nc1cccc(c1)Cl
• Canonical SMILES: CC(OC(=O)Nc1cccc(c1)Cl)C
• InChI: InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
• InChIKey: CWJSHJJYOPWUGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl N-(3-chlorophenyl)carbamate
• IUPAC Traditional name: isopropyl m-chlorocarbanilate
• Synonyms: Chlorpropham; Chlorpropham solution; Chloro-ICP; Chloropropham; Isopropyl N-(3-chlorophenyl)carbamate; N-3-氯苯氨基甲酸异丙酯; 氯-ICP; 氯普芬; 氯苯胺灵; 氯苯胺灵 溶液

Database IDs

• CAS Number: 101-21-3
• EC Number: 200-835-2; 202-925-7
• MDL Number: MFCD00037108
• Beilstein Number: 2211397
• PubChem SID: 24868868; 24869444; 24896050; 162224877
• PubChem CID: 2728

CALCULATED PROPERTIES

• Acid pKa: 12.893281
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.207675
• LogD (pH = 7.4): 3.2076735
• Log P: 3.207675
• Molar Refractivity: 56.5168 cm^3
• Polarizability: 21.473263 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: light tan crystalline

Safety Information

• RTECS: FD8050000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-51/53
• Safety Statements: 61
• GHS Pictograms: GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H351-H373-H411
• GHS Precautionary statements: P273-P281
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ~95%
• Concentration: 100 ng/μL in acetonitrile
• Grade: PESTANAL®, analytical standard
• Linear Formula: C10H12NO2Cl

DETAILS

Sigma Aldrich - I3877

Biochem/physiol Actions
有丝分裂抑制剂；抑制植物新陈代谢。

Sigma Aldrich - 45829

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 45393

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH