4-Phenylazophenyl isothiocyanate

Modify Date: 2025-08-25 17:01:54

4-Phenylazophenyl isothiocyanate structure	Common Name	4-Phenylazophenyl isothiocyanate
	CAS Number	7612-96-6	Molecular Weight	239.29600
	Density	1.15g/cm3	Boiling Point	402.4ºC at 760mmHg
	Molecular Formula	C₁₃H₉N₃S	Melting Point	94ºC
	MSDS	N/A	Flash Point	211.3ºC

Name	4-Phenylazophenyl isothiocyanate
Synonym	More Synonyms

Density	1.15g/cm3
Boiling Point	402.4ºC at 760mmHg
Melting Point	94ºC
Molecular Formula	C₁₃H₉N₃S
Molecular Weight	239.29600
Flash Point	211.3ºC
Exact Mass	239.05200
PSA	69.17000
LogP	4.83630
Index of Refraction	1.629
InChIKey	ZTXNMMXJFVCQPD-UHFFFAOYSA-N
SMILES	S=C=Nc1ccc(N=Nc2ccccc2)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX9125000

CHEMICAL NAME :: Isothiocyanic acid, (p-phenylazo)phenyl ester

CAS REGISTRY NUMBER :: 7612-96-6

BEILSTEIN REFERENCE NO. :: 0745897

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H9-N3-S

MOLECULAR WEIGHT :: 239.31

WISWESSER LINE NOTATION :: SCNR DNUNR

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 :: 18 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#02685

Risk Phrases	R20/21/22;R36/37/38
Safety Phrases	S26-S36/37/39
RIDADR	UN 2811
Packaging Group	II
Hazard Class	6.1
HS Code	2930909090

Precursor 4
CAS#:463-71-8 Thiophosgene CAS#:60-09-3 Aniline Yellow CAS#:108-24-7 Ethanoic anhydride CAS#:56-23-5 Carbon tetrachloride
DownStream 0

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%

(4-isothiocyanatophenyl)-phenyldiazene

MFCD00041092

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 4-Phenylazophenyl isothiocyanate
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-PHENYLAZOPHENYL ISOTHIOCYANATE
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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