Cas no 56309-60-5 (2-(tert-Butyl)phenyl isocyanate)
2-(tert-Butyl)phenyl isocyanate is a specialized organic compound commonly used as a reactive intermediate in the synthesis of ureas, carbamates, and other isocyanate-derived products. Its sterically hindered tert-butyl group enhances stability and influences reactivity, making it valuable for selective chemical transformations. This compound is particularly useful in pharmaceutical and agrochemical research, where controlled isocyanate reactivity is required for constructing complex molecular frameworks. It exhibits good solubility in common organic solvents, facilitating its use in various reaction conditions. Proper handling is essential due to its moisture sensitivity and potential irritant properties. Storage under inert conditions is recommended to maintain purity and prevent degradation.
56309-60-5 structure
Product Name:2-(tert-Butyl)phenyl isocyanate
CAS No:56309-60-5
MF:C11H13NO
MW:175.227022886276
MDL:MFCD00831041
CID:820777
PubChem ID:2735694
Update Time:2025-06-08
2-(tert-Butyl)phenyl isocyanate Chemical and Physical Properties
Names and Identifiers
-
- 2-(tert-Butyl)phenyl isocyanate
- 1-tert-butyl-2-isocyanatobenzene
- 2-TERT-BUTYLPHENYL ISOCYANATE
- 2-(t-butyl)phenyl isocyanate
- 2-(tert-butyl)benzenisocyanate
- o-t-butylphenyl isocyanate
- t-butylphenylisocyanate
- tert-butylphenyl isocyanate
- o-tert-Butylphenyl isocyanate
- t-butyl phenyl isocyanate
- MFCD00831041
- J-503660
- AKOS009157669
- DTXSID10370887
- 56309-60-5
- 2-(tert-butyl)phenylisocyanate
- SCHEMBL58726
- Benzene, 1-(1,1-dimethylethyl)-2-isocyanato-
- 1-(tert-Butyl)-2-isocyanatobenzene
- 2-tert-Butylphenyl isocyanate, 98%
- DB-052888
- EN300-270989
- AS-19820
-
- MDL： MFCD00831041
- Inchi： 1S/C11H13NO/c1-11(2,3)9-6-4-5-7-10(9)12-8-13/h4-7H,1-3H3
- InChI Key： YQQNLONQWMLAQX-UHFFFAOYSA-N
- SMILES： O=C=NC1C=CC=CC=1C(C)(C)C
Computed Properties
- Exact Mass: 175.10000
- Monoisotopic Mass: 175.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 211
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.4
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- Color/Form: Not available
- Density: 0.94±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: No data available
- Boiling Point: 235.7±19.0 oC (760 Torr),
- Flash Point: 83.7±24.1 oC,
- Refractive Index: n20/D 1.525(lit.)
- Solubility: Almost insoluble (0.072 g/l) (25 o C),
- PSA: 29.43000
- LogP: 2.95140
- Solubility: Not available
- Vapor Pressure: No data available
2-(tert-Butyl)phenyl isocyanate Security Information
- Signal Word：Warning
- Hazard Statement： H315; H319; H335
- Warning Statement： P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number：UN 2206 6.1/PG 3
- WGK Germany：3
- Hazard Category Code： R20/21/22;R36/37/38
- Safety Instruction： S23; S26; S36
-
Hazardous Material Identification：
- Storage Condition：Store long-term at 2-8°C
- Risk Phrases：R20/21/22; R36/37/38
2-(tert-Butyl)phenyl isocyanate Customs Data
- HS CODE：2929109000
- Customs Data：
China Customs Code:
2929109000Overview:
2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2-(tert-Butyl)phenyl isocyanate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019064968-250mg |
2-(Tert-butyl)phenylisocyanate |
56309-60-5 | 95% | 250mg |
$429.00 | 2023-09-01 | |
| Alichem | A019064968-1g |
2-(Tert-butyl)phenylisocyanate |
56309-60-5 | 95% | 1g |
$1074.33 | 2023-09-01 | |
| Alichem | A019064968-5g |
2-(Tert-butyl)phenylisocyanate |
56309-60-5 | 95% | 5g |
$3230.33 | 2023-09-01 | |
| TRC | B810825-50mg |
2-(tert-Butyl)phenyl Isocyanate |
56309-60-5 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B810825-100mg |
2-(tert-Butyl)phenyl Isocyanate |
56309-60-5 | 100mg |
$ 70.00 | 2022-06-06 | ||
| TRC | B810825-500mg |
2-(tert-Butyl)phenyl Isocyanate |
56309-60-5 | 500mg |
$ 250.00 | 2022-06-06 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T85650-1g |
2-(Tert-Butyl)Phenyl Isocyanate |
56309-60-5 | 97% | 1g |
￥352.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T85650-5g |
2-(Tert-Butyl)Phenyl Isocyanate |
56309-60-5 | 5g |
￥1012.0 | 2021-09-07 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T857994-1g |
2-(Tert-Butyl)Phenyl Isocyanate |
56309-60-5 | ≥97% | 1g |
249.00 | 2021-05-17 | |
| Apollo Scientific | OR1595-1g |
2-tert-Butylphenyl isocyanate |
56309-60-5 | 97+% | 1g |
￡15.00 | 2025-03-21 |
2-(tert-Butyl)phenyl isocyanate Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
56309-60-5 (2-(tert-Butyl)phenyl isocyanate) Related Products
- 28178-42-9(2,6-Diisopropylphenyl isocyanate)
- 56309-56-9(2-isopropylphenyl isocyanate)
- 2162-73-4(Benzene,2,4-diisocyanato-1,3,5-tris(1-methylethyl)-)
- 109310-54-5(Benzene,2-isocyanato-4-methyl-1-(1-methylethyl)-)
- 102561-43-3(2-isopropyl-6-methylphenyl isocyanate)
- 102561-41-1(Benzene,1-ethyl-2-isocyanato-3-(1-methylethyl)-)
- 28886-07-9(Benzene,1,1'-(phenylmethylene)bis[2,4-diisocyanato-5-methyl-)
- 104376-62-7(Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-, reaction products with 2-isocyanato-1,3-bis(1-methylethyl)benzene)
- 13680-30-3(2-tert-butyl-6-methylphenyl isocyanate)
- 103837-26-9(Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-, polymer with 2-isocyanato-1,3-bis(1-methylethyl)benzene)
Recommended suppliers
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
