Cas no 3125-77-7 (Benzene,1,3-diisothiocyanato-)
Benzene,1,3-diisothiocyanato- structure
Product Name:Benzene,1,3-diisothiocyanato-
CAS No:3125-77-7
MF:C8H4N2S2
MW:192.260758399963
MDL:MFCD01716878
CID:314853
PubChem ID:24880456
Update Time:2025-04-19
Benzene,1,3-diisothiocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3-diisothiocyanato-
- 1,3-diisothiocyanatobenzene
- 1,3-PHENYLENE DIISOTHIOCYANATE
- 1.3-Diisothiocyanato-benzol
- Benzene,1,3-diisothiocyanato
- ISOTHIOCYANIC ACID,m-PHENYLENE ESTER
- m-Phenylendiisothiocyanat
- m-Phenylendisenfoel
- m-Phenylenediisothiocyanate
- WLN: SCNR CNCS
- NSC511743
- NSC 511743
- DTXSID90185178
- 3125-77-7
- J-018302
- m-phenylene diisothiocyanate
- ISOTHIOCYANIC ACID, m-PHENYLENE ESTER
- 1 3-PHENYLENE DIISOTHIOCYANATE 97
- BOLANQNHTGVOMY-UHFFFAOYSA-N
- AB89859
- Benzene, 1,3-diisothiocyanato-
- AKOS015898416
- BRN 2090352
- CHEMBL3754345
- SCHEMBL483888
- 1,3-phenylenediisothiocyanate
- NSC-511743
- UNII-86M48KVG07
- M-ISOTHIOCYANATOPHENYL ISOTHIOCYANATE
- Benzene,3-diisothiocyanato-
- 86M48KVG07
- 1,3-Phenylene diisothiocyanate, 97%
- Benzene, 1,3-diisothiocyanato-(9CI)
- DTXCID00107669
- 4-13-00-00089 (Beilstein Handbook Reference)
-
- MDL： MFCD01716878
- Inchi： 1S/C8H4N2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H
- InChI Key： BOLANQNHTGVOMY-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC=C(C=1)N=C=S
Computed Properties
- Exact Mass: 191.98200
- Monoisotopic Mass: 191.98159
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 215
- 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
- XLogP3: 4.8
- Topological Polar Surface Area: 24.7
Experimental Properties
- Color/Form: Not determined
- Density: 1.3675 (rough estimate)
- Melting Point: 56?°C (dec.) (lit.)
- Boiling Point: 358.8°Cat760mmHg
- Flash Point: 180.8°C
- Refractive Index: 1.6000 (estimate)
- PSA: 88.90000
- LogP: 3.15520
- Solubility: Not determined
Benzene,1,3-diisothiocyanato- Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H302-H315-H319-H334-H335
- Warning Statement： P261-P305+P351+P338-P342+P311
- Hazardous Material transportation number：UN 3335
- WGK Germany：3
- Hazard Category Code： 22-36/37/38-42
- Safety Instruction： S22; S26; S36/37
- RTECS：NX9160000
-
Hazardous Material Identification：
- Risk Phrases：R22; R36/37/38; R42
- Storage Condition：2-8°C
Benzene,1,3-diisothiocyanato- Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. 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:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Benzene,1,3-diisothiocyanato- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 047540-1g |
1,3-Phenylene diisothiocyanate |
3125-77-7 | 1g |
￡222.00 | 2022-03-01 | ||
| Fluorochem | 047540-5g |
1,3-Phenylene diisothiocyanate |
3125-77-7 | 5g |
￡840.00 | 2022-03-01 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 568937-1G |
Benzene,1,3-diisothiocyanato- |
3125-77-7 | 97% | 1G |
￥2916.41 | 2022-02-24 | |
| Advanced ChemBlocks | O33634-1G |
1,3-Phenylene diisothiocyanate |
3125-77-7 | 97% | 1G |
$415 | 2023-09-15 | |
| Advanced ChemBlocks | O33634-5G |
1,3-Phenylene diisothiocyanate |
3125-77-7 | 97% | 5G |
$1,360 | 2023-09-15 | |
| Advanced ChemBlocks | O33634-25G |
1,3-Phenylene diisothiocyanate |
3125-77-7 | 97% | 25G |
$3,635 | 2023-09-15 | |
| A2B Chem LLC | AB57385-1g |
1,3-Phenylene diisothiocyanate |
3125-77-7 | 1g |
$236.00 | 2024-04-20 | ||
| A2B Chem LLC | AB57385-5g |
1,3-Phenylene diisothiocyanate |
3125-77-7 | 5g |
$895.00 | 2024-04-20 | ||
| 1PlusChem | 1P003E21-1g |
1,3-Phenylene diisothiocyanate |
3125-77-7 | 1g |
$245.00 | 2025-02-19 | ||
| 1PlusChem | 1P003E21-5g |
1,3-Phenylene diisothiocyanate |
3125-77-7 | 5g |
$931.00 | 2025-02-19 |
Benzene,1,3-diisothiocyanato- Related Literature
-
Anna L. Blackburn,Naomi C. A. Baker,Nicholas C. Fletcher RSC Adv. 2014 4 18442
-
Lu Yang,Liang Zhao,Zhen Zhou,Cheng He,Hui Sun,Chunying Duan Dalton Trans. 2017 46 4086
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