Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzeneacetonitrile, alpha-(1-oxopropyl)- (9CI)
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

6277-02-7

6277-02-7 structure

Name: Benzeneacetonitrile, alpha-(1-oxopropyl)- (9CI)
Chemical Name: 3-oxo-2-phenylpentanenitrile
CAS Number: 6277-02-7
Molecular Formula: C₁₁H₁₁NO
Molecular Weight: 173.21100
Create Date: 2017-07-02 15:45:21
Modify Date: 2024-01-09 08:34:47

Name	3-oxo-2-phenylpentanenitrile
Synonyms	2-Oxo-2-phenylvaleronitrile Valeronitrile,3-oxo-2-phenyl 3-oxo-2-phenyl-valeronitrile 2-Butanone,1-cyano-1-phenyl Phenyl-propionyl-essigsaeurenitril 3-oxo-2-phenyl-pentanenitrile 3-Oxo-2-phenyl-valeronitril USAF EL-86 1-Cyano-1-phenyl-2-butanone

Density	1.062g/cm3
Boiling Point	253.9ºC at 760 mmHg
Molecular Formula	C₁₁H₁₁NO
Molecular Weight	173.21100
Flash Point	107.3ºC
Exact Mass	173.08400
PSA	40.86000
LogP	2.27288
Index of Refraction	1.521

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV8640000

CHEMICAL NAME :: Valeronitrile, 3-oxo-2-phenyl-

CAS REGISTRY NUMBER :: 6277-02-7

BEILSTEIN REFERENCE NO. :: 2692970

LAST UPDATED :: 199706

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H11-N-O

MOLECULAR WEIGHT :: 173.23

WISWESSER LINE NOTATION :: NCYR&V2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

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

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

140-29-4

105-37-3

~97%

6277-02-7

Literature: Ji, Yaohui; Trenkle, William C.; Vowles, James V. Organic Letters, 2006 , vol. 8, # 6 p. 1161 - 1163

554-12-1

140-29-4

~84%

6277-02-7

Literature: Holsworth, Daniel D.; Stier, Michael; Edmunds, Jeremy J.; He, Wei; Place, Samuel; Maiti, Samarendra Synthetic Communications, 2003 , vol. 33, # 20 p. 3467 - 3475

79-03-8

140-29-4

6277-02-7

Literature: Tarnchompoo, Bongkoch; Sirichaiwat, Chawanee; Phupong, Worrapong; Intaraudom, Chakapong; Sirawaraporn, Worachart; Kamchonwongpaisan, Sumalee; Vanichtanankul, Jarunee; Thebtaranonth, Yodhathai; Yuthavong, Yongyuth Journal of Medicinal Chemistry, 2002 , vol. 45, # 6 p. 1244 - 1252

105-37-3

6277-02-7

Literature: Levine; Hauser Journal of the American Chemical Society, 1946 , vol. 68, p. 760

103987-29-7

6277-02-7

Literature: Yasuda Yakugaku Zasshi, 1959 , vol. 79, p. 623,626 Chem.Abstr., 1959 , p. 21885

71660-00-9

140-29-4

6277-02-7

Literature: Dimroth; Feuchter Chemische Berichte, 1903 , vol. 36, p. 2239 Anm.5 Full Text Show Details Walther; Schickler Journal fuer Praktische Chemie (Leipzig), 1897 , vol. <2> 55, p. 323

26388-11-4

105-37-3

6277-02-7

Literature: Bodroux Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1910 , vol. 151, p. 235 Bulletin de la Societe Chimique de France, 1910 , vol. <4> 7, p. 847,850

Precursor 7
140-29-4 105-37-3 554-12-1 79-03-8
103987-29-7 71660-00-9 26388-11-4
DownStream 7
103-82-2 140-29-4 27653-49-2 645-54-5
1007-32-5 71552-34-6 502136-76-7

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