2-chloro-1-isocyanato-3-methylbenzene CAS 88330-64-7
| CAS No. | 88330-64-7 |
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-chloro-1-isocyanato-3-methylbenzene (C8H6ClNO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 167.59 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 2-chloro-1-isocyanato-3-methylbenzene (CAS 88330-64-7), a certified reference material (molecular formula C8H6ClNO, MW 167.59 g/mol) for analytical method development and quality control.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 2-chloro-1-isocyanato-3-methylbenzene under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.59 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related chloro Standards
- 2-Chloro-4-methylbenzoxazole (CAS 1001185-81-4)
- 4-Chloro-2-methoxybenzonitrile (CAS 100960-68-7)
- 3-Chloro-4-methoxybenzonitrile (CAS 102151-33-7)
- 3-Chloro-5-(hydroxymethyl)benzonitrile (CAS 1021871-35-1)
- 3-Chloro-5-methoxyphenylisocyanide (CAS 1029634-54-5)
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Recommended Standards
- 2-(3-Chlorophenyl)-2-hydroxyacetonitrile (CAS 53313-92-1)
- 2-Chloro-1-isocyanato-4-methylbenzene (CAS 40398-00-3)
- 2-(3-Chloro-4-hydroxyphenyl)acetonitrile (CAS 58622-59-6)
- 2-Chloro-3-(prop-2-yn-1-yloxy)pyridine (CAS 72421-03-5)
- 2-(Difluoromethyl)-5-methoxytoluene (CAS 1261605-84-8)
- (1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-2-yl)methanol (CAS 864410-68-4)
- 2-pyrrolidin-3-ylacetic acid (CAS 89203-64-5)
- 1-(4-chloro-1H-pyrrole-2-carbonyl)-1,4-diazepane (CAS 1038213-92-1)
- (4,4-Difluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanol (CAS 2716894-17-4)
- (R)-4-benzyl-3-(2-bromoacetyl)oxazolidin-2-one (CAS 110905-24-3)
- 1-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazine dihydrochloride (CAS 1251924-69-2)
- N-(2-Chloropropyl)morpholine Hydrochloride (CAS 100859-99-2)
- methyl azepane-3-carboxylate;hydrochloride (CAS 198959-48-7)
- Tau Peptide (401-411)-Lys-Lys trifluoroacetate salt (CAS 2022956-59-6)
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