Cas no 56278-50-3 (2-(1,3-benzothiazol-2-yl)acetonitrile)

2-(1,3-benzothiazol-2-yl)acetonitrile structure

56278-50-3 structure

Product Name:2-(1,3-benzothiazol-2-yl)acetonitrile

CAS No:56278-50-3

MF:C₉H₆N₂S

MW:174.222340106964

MDL:MFCD00051633

CID:56923

PubChem ID:24868043

Update Time:2025-09-22

2-(1,3-benzothiazol-2-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

- 2-(Benzo[d]thiazol-2-yl)acetonitrile
- 2-Benzothiazoleacetonitrile
- 1,3-Benzothiazol-2-ylacetonitrile
- 2-(1,3-Benzothiazol-2-yl)acetonitrile
- Benzothiazole-2-acetonitrile
- 2-Cyanomethyl-1,3-benzothiazole
- Benzothiazole-2-yl-acetonitrile
- Benzothiazol-2-ylacetonitrile
- ZMZSYUSDGRJZNT-UHFFFAOYSA-N
- 2-benzothiazol-2-ylethanenitrile
- NSC379416
- Maybridge1_003801
- 2-cyanomethylbenzothiazole
- 2-cyanomethyl-benzthiazole
- KSC269I0R
- 2-(benzothiazolyl)-acetoni
- 2-Benzothiazoleacetonitrile, 98%
- YSZC1130
- SR-01000532980-1
- SCHEMBL76564
- FS-2251
- 1,3-benzothiazol-2yl-acetonitrile
- MFCD00051633
- (1,3-benzothiazol-2-yl)acetonitrile
- BB 0218398
- 2-Benzothioazoleacetonitrile
- CS-M0204
- 56278-50-3
- benzothiazol-2-yl-acetonitrile
- AMY23210
- AKOS000265902
- DTXSID00321646
- BCP21425
- 1,3-benzothiazol-2-yl-acetonitrile
- 1,3-Benzothiazol-2-ylacetonitrile #
- NSC-379416
- 2-(Benzothiazol-2-yl)acetonitrile
- SR-01000532980
- InChI=1/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2
- ZMZSYUSDGRJZNT-UHFFFAOYSA-
- METHYL2-AMINO-3-(4-HYDROXYPHENYL)PROPANOATE
- HMS552E17
- A13564
- SDCCGMLS-0066103.P001
- CHEMBL5079209
- F1673-3350
- Z56935286
- 2-(benzothiazolyl)-acetonitrile
- SY018014
- SCHEMBL2520974
- NSC 379416
- EN300-01336
- FT-0622730
- STK318007
- DB-013386
- DB-229869
- AE-641/00397039
- 2-(1,3-benzothiazol-2-yl)acetonitrile
- MDL： MFCD00051633
- Inchi： 1S/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2
- InChI Key： ZMZSYUSDGRJZNT-UHFFFAOYSA-N
- SMILES： S1C(CC#N)=NC2C=CC=CC1=2
- BRN： 128460

Computed Properties

Exact Mass: 174.02500
Monoisotopic Mass: 174.025
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 208
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: 2
XLogP3: 2.3
Topological Polar Surface Area: 64.9

Experimental Properties

Color/Form: Pale-yellow to Yellow-brown Solid
Density: 1.315
Melting Point: 98-101?°C (lit.)
Boiling Point: 329.6℃ at 760 mmHg
Flash Point: 153.1±23.2 °C
Water Partition Coefficient: Slightly soluble in water.
PSA: 64.92000
LogP: 2.36238
Solubility: Not determined

2-(1,3-benzothiazol-2-yl)acetonitrile Security Information

Symbol:
Signal Word：Warning
Hazard Statement： H302,H312,H315,H319,H332,H335
Warning Statement： P261,P280,P305+P351+P338
Hazardous Material transportation number：3439
WGK Germany：3
Hazard Category Code： 20/21/22-36/37/38
Safety Instruction： S26-S36-S36/37/39
Hazardous Material Identification：
HazardClass：6.1
PackingGroup：III
Storage Condition：Store at room temperature
Packing Group：III
Hazard Level：6.1
Risk Phrases：R20/21/22; R36/37/38
Packing Group：III
Safety Term：6.1

2-(1,3-benzothiazol-2-yl)acetonitrile Customs Data

HS CODE：2934999090
Customs Data：

China Customs Code:
2934999090

Overview:

2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

Declaration elements:

Product Name, component content, use to

Summary:

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(1,3-benzothiazol-2-yl)acetonitrile Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Fluorochem	040306-1g	Benzothiazole-2-yl-acetonitrile	56278-50-3	97%	1g	￡10.00	2022-03-01
Fluorochem	040306-5g	Benzothiazole-2-yl-acetonitrile	56278-50-3	97%	5g	￡18.00	2022-03-01
Fluorochem	040306-25g	Benzothiazole-2-yl-acetonitrile	56278-50-3	97%	25g	￡82.00	2022-03-01
Fluorochem	040306-100g	Benzothiazole-2-yl-acetonitrile	56278-50-3	97%	100g	￡296.00	2022-03-01
AstaTech	56339-5/G	BENZOTHIAZOLE-2-YL-ACETONITRILE	56278-50-3	97%	5/G	$30	2022-06-01
AstaTech	56339-25/G	BENZOTHIAZOLE-2-YL-ACETONITRILE	56278-50-3	97%	25/G	$81	2022-06-01
AstaTech	56339-100/G	BENZOTHIAZOLE-2-YL-ACETONITRILE	56278-50-3	97%	100/G	$286	2022-06-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	B115478-1g	2-(1,3-benzothiazol-2-yl)acetonitrile	56278-50-3	98%	1g	￥40.90	2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	B115478-25g	2-(1,3-benzothiazol-2-yl)acetonitrile	56278-50-3	98%	25g	￥581.90	2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	B115478-5g	2-(1,3-benzothiazol-2-yl)acetonitrile	56278-50-3	98%	5g	￥122.90	2023-09-04

2-(1,3-benzothiazol-2-yl)acetonitrile Production Method

2-(1,3-benzothiazol-2-yl)acetonitrile Suppliers

Suzhou Senfeida Chemical Co., Ltd

Gold Member

Audited Supplier

(CAS:56278-50-3)Benzothiazole-2-acetonitrile

Order Number:sfd21506

Stock Status:in Stock

Quantity:200kg

Purity:99.9%

Pricing Information Last Updated:Friday, 19 July 2024 14:39

Price ($):discuss personally

Email:[email protected]

Product Official Link

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2. A novel approach to bis(1,3-azol-2-yl)acetonitriles and bis(1,3-azol-2-yl)methanes via the [3 + 2]-dipolar cycloaddition of imidazole N-oxides and 2-heteroaryl-3,3-dimethylacrylonitriles

Anton V. Kutasevich,Anton S. Niktarov,Ekaterina S. Uvarova,Valentina A. Karnoukhova,Vitaly S. Mityanov Org. Biomol. Chem. 2021 19 8988
3. H-Bonding and C–H?π assisted mechanofluorochromism of triphenylamine-containing vinylheterocycles bearing cyano and methyl groups

Jiang Peng,Jinyu Zhao,Longde Zheng,Kaiqi Ye,Jingbo Sun,Ran Lu New J. Chem. 2018 42 18269
4. A novel carbazole-benzothiazole-based chemodosimeter for the chromogenic and fluorogenic recognition of CN?

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5. A novel carbazole-benzothiazole-based chemodosimeter for the chromogenic and fluorogenic recognition of CN?

Atanu Maji,Amitav Biswas,Akash Das,Saswati Gharami,Krishnendu Aich,Tapan K. Mondal New J. Chem. 2023 47 11557

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