Cas no 3694-45-9 (4-Chlorobenzyl isothiocyanate)

4-Chlorobenzyl isothiocyanate structure

Product Name:4-Chlorobenzyl isothiocyanate

CAS No:3694-45-9

MF:C₈H₆ClNS

MW:183.657939434052

MDL:MFCD00041116

CID:84837

PubChem ID:19408

Update Time:2025-04-18

4-Chlorobenzyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

- 4-Chlorobenzyl isothiocyanate
- 1-chloro-4-(isothiocyanatomethyl)benzene
- 1-chloranyl-4-(isothiocyanatomethyl)benzene
- ISOTHIOCYANIC ACID, p-CHLOROBENZYL ESTER
- 2-METHYL-[1,2,6]THIADIAZINANE1,1-DIOXIDE
- BS-42261
- p-chlorobenzylisothiocyanate
- MFCD00041116
- 4-chlorobenzylisothio-cyanate
- A823470
- BRN 2085917
- CHEMBL2151313
- NSC221238
- 4-Chlorobenzylisothiocyanate
- AKOS003384164
- DTXSID80190433
- 4-12-00-02373 (Beilstein Handbook Reference)
- p-Chlorobenzyl isothiocyanate
- WLN: SCN1R DG
- Benzene, 1-chloro-4-(isothiocyanatomethyl)-
- SCHEMBL895951
- NSC 221238
- Toluene, p-chloro-alpha-isothiocyanato-
- 3694-45-9
- NSC-221238
- Benzene, 1-chloro-4-(isothiocyanatomethyl)- (9CI)
- 1-Chloro-4-(isothiocyanatomethyl)benzene #
- FT-0634968
- DB-049036
- MDL： MFCD00041116
- Inchi： 1S/C8H6ClNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
- InChI Key： DEHXIHUIYSXZNH-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)CN=C=S
- BRN： 2085917

Computed Properties

Exact Mass: 182.99100
Monoisotopic Mass: 182.991
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 11
Rotatable Bond Count: 2
Complexity: 158
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: Not determined
XLogP3: 3.8
Topological Polar Surface Area: 12.4

Experimental Properties

Density: 1,27 g/cm3
Boiling Point: 170 °C
Flash Point: 169-170°C/25mm
Refractive Index: 1.6155
PSA: 44.45000
LogP: 2.94280
Sensitiveness: Moisture Sensitive

4-Chlorobenzyl isothiocyanate Security Information

Hazardous Material transportation number：2810
Hazard Category Code： 20/21/22-36/37/38
Safety Instruction： S26-S36/37/39
RTECS：NX8470000
Hazardous Material Identification：
Packing Group：II
Hazard Level：6.1
HazardClass：6.1
PackingGroup：II
Safety Term：6.1
Packing Group：II
Risk Phrases：R20/21/22; R36/37/38
Storage Condition：The warehouse is ventilated and dried at low temperature and stored separately from food raw materials

4-Chlorobenzyl isothiocyanate Customs Data

HS CODE：2930909090
Customs Data：

China Customs Code:
2930909090

Overview:

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%

4-Chlorobenzyl isothiocyanate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Fluorochem	002529-5g	4-Chlorobenzyl isothiocyanate	3694-45-9	98%	5g	￡38.00	2022-03-01
Fluorochem	002529-1g	4-Chlorobenzyl isothiocyanate	3694-45-9	98%	1g	￡15.00	2022-03-01
TRC	C651808-250mg	4-Chlorobenzyl isothiocyanate	3694-45-9		250mg	$ 50.00	2022-06-06
TRC	C651808-500mg	4-Chlorobenzyl isothiocyanate	3694-45-9		500mg	$ 65.00	2022-06-06
TRC	C651808-2.5g	4-Chlorobenzyl isothiocyanate	3694-45-9		2.5g	$ 160.00	2022-06-06
Fluorochem	002529-25g	4-Chlorobenzyl isothiocyanate	3694-45-9	98%	25g	￡127.00	2022-03-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	C301604-1g	4-Chlorobenzyl isothiocyanate	3694-45-9	97%	1g	￥514.90	2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	C301604-5g	4-Chlorobenzyl isothiocyanate	3694-45-9	97%	5g	￥2008.90	2023-09-03
abcr	AB178799-5 g	4-Chlorobenzyl isothiocyanate, 95%; .	3694-45-9	95%	5 g	€174.00	2023-07-20
abcr	AB178799-25 g	4-Chlorobenzyl isothiocyanate, 95%; .	3694-45-9	95%	25 g	€599.00	2023-07-20

4-Chlorobenzyl isothiocyanate Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:3694-45-9)4-Chlorobenzyl isothiocyanate

Order Number:A1156986

Stock Status:in Stock

Quantity:25g

Purity:99%

Pricing Information Last Updated:Thursday, 29 August 2024 23:36

Price ($):483.0

Email:[email protected]

Product Official Link

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