Thiocyanic acid,4-(dimethylamino)phenyl ester

Modify Date: 2025-08-25 11:43:33

Thiocyanic acid,4-(dimethylamino)phenyl ester structure	Common Name	Thiocyanic acid,4-(dimethylamino)phenyl ester
	CAS Number	7152-80-9	Molecular Weight	178.25400
	Density	1.16 g/cm3	Boiling Point	303.6ºC at760mmHg
	Molecular Formula	C₉H₁₀N₂S	Melting Point	71-73ºC
	MSDS	N/A	Flash Point	137.4ºC

Name	[4-(dimethylamino)phenyl] thiocyanate
Synonym	More Synonyms

Density	1.16 g/cm3
Boiling Point	303.6ºC at760mmHg
Melting Point	71-73ºC
Molecular Formula	C₉H₁₀N₂S
Molecular Weight	178.25400
Flash Point	137.4ºC
Exact Mass	178.05600
PSA	52.33000
LogP	2.32578
Index of Refraction	1.599
InChIKey	WCCIEZDFRJREQJ-UHFFFAOYSA-N
SMILES	CN(C)c1ccc(SC#N)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BX8050000

CHEMICAL NAME :: Aniline, N,N-dimethyl-p-thiocyanato-

CAS REGISTRY NUMBER :: 7152-80-9

BEILSTEIN REFERENCE NO. :: 2089838

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C9-H10-N2-S

MOLECULAR WEIGHT :: 178.27

WISWESSER LINE NOTATION :: NCSR DN1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

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

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

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

REFERENCE :: 28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 4,181,1969

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 55 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :: JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Lungs, Thorax, or Respiration - respiratory stimulation Lungs, Thorax, or Respiration - other changes

REFERENCE :: JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954

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#02758

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1260 mg/kg

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

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

HS Code	2930909090

Precursor 8
CAS#:333-20-0 Potassium thioc... CAS#:121-69-7 N,N-Dimethylaniline CAS#:540-72-7 Sodium thiocyanate CAS#:592-87-0 Lead (II) thioc...
CAS#:2959-01-5 dichlorourea CAS#:60763-20-4 selenium dithio... CAS#:2987-46-4 4-amino phenyl ... CAS#:74-88-4 methyl iodide
DownStream 8
CAS#:333-20-0 Potassium thioc... CAS#:5397-29-5 Aniline, p,p-di... CAS#:100-32-3 1,2-Bis(4-nitro... CAS#:63116-13-2 4-(N,N-dimethyl...
CAS#:62291-59-2 4-ethylsulfanyl... CAS#:62291-60-5 N,N-dimethyl-4-... CAS#:62291-61-6 N,N-dimethyl-4-... CAS#:62291-62-7 4-benzylsulfany...

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%

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity

Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

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Me2NC6H4SCN

Caswell No. 359E

p-(Dimethylamino)thiocyanobenzene

Defoliant 2929 RP

4-(Dimethylamino)phenyl thiocyanate

p-SCN-C6H4NMe2

N,N-dimethyl-4-thiocyanatobenzenamine

p-Thiocyanodimethylaniline

N,N-dimethyl-4-thiocyanatobenzeneamine

4-N,N-dimethylaminophenyl thiocyanate

4-Thiocyano-N,N-dimethylaniline

p-(Dimethylamino)phenylthiocyanate

Dimethylaminorhodanbenzol

Thiocyanic acid,4-(dimethylamino)phenyl ester

4-thiocyanato-N,N-dimethylaniline

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China
Product Name: {[4-(dimethylamino)phenyl]sulfanyl}formonitrile
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Thiocyanic acid,4-(dimethylamino)phenyl ester
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
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Thiocyanic acid,4-(dimethylamino)phenyl ester

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Precursor & DownStream

Customs

Bioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.