4OCB

Modify Date: 2026-07-01 09:09:10

4OCB structure	Common Name	4OCB
	CAS Number	52709-87-2	Molecular Weight	251.323
	Density	1.1±0.1 g/cm3	Boiling Point	405.5±38.0 °C at 760 mmHg
	Molecular Formula	C₁₇H₁₇NO	Melting Point	77 °C
	MSDS	N/A	Flash Point	170.3±20.6 °C

Summary: 4-Butoxy-4'-cyanobiphenyl (4-(4-butoxyphenyl)benzonitrile, CAS: 52709-87-2), with molecular formula C17H17NO and molecular weight 251.323. Appearance: white to almost white powder or crystal. Melting point: 77°C, boiling point: 405.5±38.0°C, density: 1.1±0.1g/cm3. For research-use only, not for medical or clinical usage.

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	4-(4-butoxyphenyl)benzonitrile
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.1±0.1 g/cm3
Boiling Point	405.5±38.0 °C at 760 mmHg
Melting Point	77 °C
Molecular Formula	C₁₇H₁₇NO
Molecular Weight	251.323
Flash Point	170.3±20.6 °C
Exact Mass	251.131012
PSA	33.02000
LogP	4.70
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.573
InChIKey	KPQVQWUNELODQE-UHFFFAOYSA-N
SMILES	CCCCOc1ccc(-c2ccc(C#N)cc2)cc1

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DV1764000

CHEMICAL NAME :: (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-

CAS REGISTRY NUMBER :: 52709-87-2

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C17-H17-N-O

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 :: >10 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 34(4),23,1990

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1500 mg/kg

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

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 34(4),23,1990

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

HS Code	2926909090

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

1-Bromobutane

CAS#:109-65-9

4'-Hydroxy-4-bi...

CAS#:19812-93-2

~68%

4OCB

CAS#:52709-87-2

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Literature: Ruolene, Yu. I.; Adomenas, P. V.; Adomenene, O. K.; Denis, G. I. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 1192 - 1195 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 6 p. 1310 - 1314

Butyl iodide

CAS#:542-69-8

4'-Hydroxy-4-bi...

CAS#:19812-93-2

4OCB

CAS#:52709-87-2

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Literature: Debono, Manuel; Turner, William W.; LaGrandeur, Lisa; Burkhadt, Fred J.; Nissen , Jeffrey S.; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 17 p. 3271 - 3281

4-CYANO-4'-NITR...

CAS#:31835-63-9

4OCB

CAS#:52709-87-2

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4-Amino-4'-cyan...

CAS#:4854-84-6

4OCB

CAS#:52709-87-2

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N/A

CAS#:127783-75-9

4OCB

CAS#:52709-87-2

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This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 5
CAS#:109-65-9 1-Bromobutane CAS#:19812-93-2 4'-Hydroxy-4-bi... CAS#:542-69-8 Butyl iodide CAS#:31835-63-9 4-CYANO-4'-NITR...
CAS#:4854-84-6 4-Amino-4'-cyan...
DownStream 2
CAS#:59748-14-0 4'-Butoxy-4-bip... CAS#:75472-36-5 4-(4-butoxyphen...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2926909090
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2

Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600

Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN

Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN

Total 5, Current Page 1 of 1

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

4-cyano-4'-n-butyloxybiphenyl

4OCB

4'-Butoxybiphenyl-4-carbonitrile

4-butoxy-4'-cyano-biphenyl

4-Butoxycyanodiphenyl

4'-Butoxy-4-biphenylcarbonitrile

MFCD00183755

EINECS 258-123-2

4'-butoxy(1,1'-biphenyl)-4-carbonitrile

4-cyano-4'-butyloxybiphenyl

NCR DR DO4

4-n-butyloxy-4'-cyanobiphenyl

4-Cyano-4'-butoxybiphenyl

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the English name of 4-(4-butoxyphenyl)benzonitrile?

A: The English name of 4-(4-butoxyphenyl)benzonitrile is 4-(4-butoxyphenyl)benzonitrile.

Q: What is the LogP of 4-(4-butoxyphenyl)benzonitrile?

A: LogP of 4-(4-butoxyphenyl)benzonitrile is 4.70.

Q: What is the SMILES notation of 4-(4-butoxyphenyl)benzonitrile?

A: SMILES notation of 4-(4-butoxyphenyl)benzonitrile is CCCCOc1ccc(-c2ccc(C#N)cc2)cc1.

Q: What English synonyms does 4-(4-butoxyphenyl)benzonitrile have?

A: English synonyms of 4-(4-butoxyphenyl)benzonitrile: 4-cyano-4'-n-butyloxybiphenyl, 4OCB, 4'-Butoxybiphenyl-4-carbonitrile, 4-butoxy-4'-cyano-biphenyl, 4-Butoxycyanodiphenyl, 4'-Butoxy-4-biphenylcarbonitrile, MFCD00183755, EINECS 258-123-2, 4'-butoxy(1,1'-biphenyl)-4-carbonitrile, 4-cyano-4'-butyloxybiphenyl, NCR DR DO4, 4-n-butyloxy-4'-cyanobiphenyl, 4-Cyano-4'-butoxybiphenyl.

Q: What is the molecular weight of 4-(4-butoxyphenyl)benzonitrile?

A: Molecular weight of 4-(4-butoxyphenyl)benzonitrile is 251.323.

Q: What are the downstream products of 4-(4-butoxyphenyl)benzonitrile?

A: Related downstream products(CAS) of 4-(4-butoxyphenyl)benzonitrile: 59748-14-0;75472-36-5.

Q: What is the CAS number of 4-(4-butoxyphenyl)benzonitrile?

A: CAS number of 4-(4-butoxyphenyl)benzonitrile is 52709-87-2.

Q: What is the polar surface area (PSA) of 4-(4-butoxyphenyl)benzonitrile?

A: Polar surface area (PSA) of 4-(4-butoxyphenyl)benzonitrile is 33.02000.

Q: What is the boiling point of 4-(4-butoxyphenyl)benzonitrile?

A: Boiling point of 4-(4-butoxyphenyl)benzonitrile is 405.5±38.0 °C at 760 mmHg.

Q: What is the InChIKey of 4-(4-butoxyphenyl)benzonitrile?

A: InChIKey of 4-(4-butoxyphenyl)benzonitrile is KPQVQWUNELODQE-UHFFFAOYSA-N.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

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.

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

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-Butoxy-[1,1'-biphenyl]-4'-carbonitrile
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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