4OCB

Modify Date: 2025-08-21 17:45:43

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

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

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

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

HS Code	2926909090

1-Bromobutane

CAS#:109-65-9

4'-Hydroxy-4-bi...

CAS#:19812-93-2

~68%

4OCB

CAS#:52709-87-2

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

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

4-Amino-4'-cyan...

CAS#:4854-84-6

4OCB

CAS#:52709-87-2

N/A

CAS#:127783-75-9

4OCB

CAS#:52709-87-2

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...

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%

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

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

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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

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 4OCB
Price: ￥96.0/250mg ￥1076.0/10g ￥666.0/5g ￥2156.0/25g
Purity: 95.0%
Delivery: 2 Day
Contact: Liu jia
Email: 2130147988@qq.com

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4OCB

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

4OCBBioassay

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.