Cas no 33904-03-9 (2,4-Dimethoxyphenyl isothiocyanate)

2,4-Dimethoxyphenyl isothiocyanate is a versatile organic compound primarily used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its isothiocyanate functional group enables efficient conjugation with amines and other nucleophiles, making it valuable for derivatization and labeling applications. The dimethoxy substitution enhances its stability and reactivity in selective transformations. This compound is particularly useful in heterocyclic chemistry and as a building block for bioactive molecules. It is typically handled under controlled conditions due to its moisture sensitivity. High purity grades ensure consistent performance in research and industrial applications, including drug discovery and material science.

2,4-Dimethoxyphenyl isothiocyanate structure

33904-03-9 structure

Product Name:2,4-Dimethoxyphenyl isothiocyanate

CAS No:33904-03-9

MF:C₉H₉NO₂S

MW:195.238260984421

MDL:MFCD00041058

CID:89050

PubChem ID:354333240

Update Time:2025-06-07

2,4-Dimethoxyphenyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

- 2,4-dimethoxyphenyl isothiocyanate
- 2,4-Dimethoxyisocyanatobenzene
- 1-isothiocyanato-2,4-dimethoxybenzene
- 1-isothiocyanato-2,4-dimethoxy-benzene
- 2,4-dimethoxybenzenisothiocyanate
- 2,4-Dimethoxy-phenylisothiocyanat
- 2.4-Dimethoxy-phenylsenfoel
- 4-Thiocarbonylamino-resorcin-dimethylaether
- Isothiocyanic Acid 2,4-Dimethoxyphenyl Ester
- 2,4-DIMETHOXYPHENylisoTHIOCYANATE
- CNXSCEPTSXPBTP-UHFFFAOYSA-N
- (2,4-dimethoxyphenyl)isothiocyanate
- STK397871
- SBB030515
- 1-isothiocyanato-2.4-dimethoxybenzene
- VZ22632
- D494
- FT-0610142
- D4943
- Benzene, 1-isothiocyanato-2,4-dimethoxy-
- A821994
- SCHEMBL222435
- 33904-03-9
- FT-0610140
- D90352
- BP-10900
- MFCD00041058
- J-019369
- DTXSID80371200
- CHEMBL4755232
- F1915-0008
- AKOS000212353
- DTXCID00322234
- DB-019970
- 2,4-Dimethoxyphenyl isothiocyanate
- MDL： MFCD00041058
- Inchi： 1S/C9H9NO2S/c1-11-7-3-4-8(10-6-13)9(5-7)12-2/h3-5H,1-2H3
- InChI Key： CNXSCEPTSXPBTP-UHFFFAOYSA-N
- SMILES： S=C=NC1=CC=C(C=C1OC)OC
- BRN： 2723226

Computed Properties

Exact Mass: 195.03500
Monoisotopic Mass: 195.035
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 13
Rotatable Bond Count: 3
Complexity: 204
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: 3.3
Topological Polar Surface Area: 62.9

Experimental Properties

Color/Form: Not determined
Density: 1.2721 (rough estimate)
Melting Point: 52.0 to 56.0 deg-C
Boiling Point: 167?°C6?mm Hg(lit.)
Flash Point: >230?°F
Refractive Index: 1.5270 (estimate)
PSA: 62.91000
LogP: 2.43810
Sensitiveness: Moisture Sensitive
Solubility: Not determined

2,4-Dimethoxyphenyl isothiocyanate Security Information

Symbol:
Prompt：dangerous
Hazard Statement： H331,H302,H312,H314,H318
Warning Statement： P260,P303
P361
P353,P305
P351
P338,P301
P330
P331,P405,P501A
Hazardous Material transportation number：UN 3261 8/PG 2
WGK Germany：3
Hazard Category Code： 34
Safety Instruction： S26-S27-S36/37/39-S45
Hazardous Material Identification：
HazardClass：8
PackingGroup：III
Risk Phrases：R20/21/22; R36/37/38
Packing Group：III
Safety Term：8

2,4-Dimethoxyphenyl 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%

2,4-Dimethoxyphenyl isothiocyanate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	D863605-25g	2,4-Dimethoxyphenyl isothiocyanate	33904-03-9	98%	25g	￥2,680.00	2022-01-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.	D4943-5g	2,4-Dimethoxyphenyl isothiocyanate	33904-03-9	98.0%(GC)	5g	￥725.0	2022-07-28
SHANG HAI XIAN DING Biotechnology Co., Ltd.	D4943-25g	2,4-Dimethoxyphenyl isothiocyanate	33904-03-9	98.0%(GC)	25g	￥3140.0	2022-07-28
TRC	B428805-500mg	2,4-dimethoxyphenyl isothiocyanate	33904-03-9		500mg	$ 50.00	2022-06-07
TRC	B428805-1g	2,4-dimethoxyphenyl isothiocyanate	33904-03-9		1g	$ 70.00	2022-06-07
TRC	B428805-5g	2,4-dimethoxyphenyl isothiocyanate	33904-03-9		5g	$ 230.00	2022-06-07
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.	R032469-1g	2,4-Dimethoxyphenyl isothiocyanate	33904-03-9	98%	1g	￥90	2024-05-24
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.	R032469-25g	2,4-Dimethoxyphenyl isothiocyanate	33904-03-9	98%	25g	￥1310	2024-05-24
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.	R032469-5g	2,4-Dimethoxyphenyl isothiocyanate	33904-03-9	98%	5g	￥282	2024-05-24
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	D140551-1g	2,4-Dimethoxyphenyl isothiocyanate	33904-03-9	98%	1g	￥97.90	2023-09-03

2,4-Dimethoxyphenyl isothiocyanate Production Method

Production Method 1

2735-04-8

107-22-2

33904-03-9

84370-87-6

Reaction Conditions

1.1 Solvents: Isopropanol , Water ; heated
2.1 Reagents: Thiophosgene Solvents: Benzene ; rt; 15 min, reflux

Reference

Evidence for a diazabutatriene system and a new synthesis for isocyanates

Sobel, Peter John, 1980, , ,

Production Method 2

928008-48-4

33904-03-9

84370-87-6

Reaction Conditions

1.1 Reagents: Thiophosgene Solvents: Benzene ; rt; 15 min, reflux

Reference

Evidence for a diazabutatriene system and a new synthesis for isocyanates

Sobel, Peter John, 1980, , ,

2,4-Dimethoxyphenyl isothiocyanate Raw materials

2,4-Dimethoxyphenyl isothiocyanate Preparation Products

2,4-Dimethoxyphenyl isothiocyanate Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:33904-03-9)2,4-Dimethoxyphenyl isothiocyanate

Order Number:A1201831

Stock Status:in Stock

Quantity:25g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 02:46

Price ($):158.0

Email:[email protected]

Product Official Link

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