Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzene,1,3-diisothiocyanato-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

3125-77-7

3125-77-7 structure

Name: Benzene,1,3-diisothiocyanato-
Chemical Name: 1,3-diisothiocyanatobenzene
CAS Number: 3125-77-7
Molecular Formula: C₈H₄N₂S₂
Molecular Weight: 192.26100
Catalog: Chemical reagent Organic reagent Thiocyanate/isothiocyanate
Create Date: 2018-02-14 08:00:00
Modify Date: 2025-08-25 09:23:56

Name	1,3-diisothiocyanatobenzene
Synonyms	WLN: SCNR CNCS m-Phenylendisenfoel 1.3-Diisothiocyanato-benzol MFCD01716878 1,3-Phenylene diisothiocyanate Benzene,1,3-diisothiocyanato m-Phenylenediisothiocyanate m-Phenylendiisothiocyanat ISOTHIOCYANIC ACID,m-PHENYLENE ESTER

Density	1.2g/cm3
Boiling Point	358.8ºC at 760mmHg
Melting Point	56ºC (dec.)(lit.)
Molecular Formula	C₈H₄N₂S₂
Molecular Weight	192.26100
Flash Point	180.8ºC
Exact Mass	191.98200
PSA	88.90000
LogP	3.15520
Index of Refraction	1.6000 (estimate)
Storage condition	2-8°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX9160000

CHEMICAL NAME :: Isothiocyanic acid, m-phenylene ester

CAS REGISTRY NUMBER :: 3125-77-7

BEILSTEIN REFERENCE NO. :: 2090352

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H4-N2-S2

MOLECULAR WEIGHT :: 192.26

WISWESSER LINE NOTATION :: SCNR CNCS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02764

Symbol	GHS07, GHS08
Signal Word	Danger
Hazard Statements	H302-H315-H319-H334-H335
Precautionary Statements	P261-P305 + P351 + P338-P342 + P311
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xn: Harmful;
Risk Phrases	22-36/37/38-42
Safety Phrases	22-26-36/37
RIDADR	UN3335 9
WGK Germany	3
RTECS	NX9160000
HS Code	2930909090

463-71-8

108-45-2

~82%

3125-77-7

Literature: Journal of Medicinal Chemistry, , vol. 32, # 5 p. 1043 - 1051

19972-68-0

~84%

3125-77-7

Literature: Bulletin des Societes Chimiques Belges, , vol. 98, # 4 p. 289 - 290

108-45-2

102368-13-8

~87%

3125-77-7

Literature: European Journal of Organic Chemistry, , # 22 p. 3787 - 3792

75-15-0

108-45-2

3125-77-7

Literature: DE700436 , ; DRP/DRBP Org.Chem.

123-61-5

3125-77-7

Literature: US2681358 , ;

463-71-8

541-69-5

3125-77-7

Literature: Angewandte Chemie, , vol. 59, p. 261 Chem.Abstr., , p. 6160

463-71-8

67-66-3

108-45-2

3125-77-7

Literature: Chemische Berichte, , vol. 20, p. 231

Precursor 8
463-71-8 108-45-2 19972-68-0 102368-13-8
75-15-0 123-61-5 541-69-5 67-66-3
DownStream 1
626-17-5

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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