Iden­ti­fi­ca­tion

CAS Number

327-78-6

Name

4-Chloro-3-(trifluoromethyl)phenyl iso­cyanate

Syn­onyms

Inter­me­di­ate of Sorafenib

Mol­e­c­u­lar Structure

Structure of Sorafenib intermediate CAS 327-78-6

SMILES

FC(F)(F)c1cc(N=C=O)ccc1Cl

Std­InChI

InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H

Std­InChIKey

NBJZEUQT­GLSUOB-UHF­F­­FAOYSA-N

Mol­e­c­u­lar Formula

C8H3ClF3NO

Mol­e­c­u­lar Weight

221.56

MDL Number

MFCD00013874

Prop­er­ties

Appear­ance

White to off-white crys­tal

Refrac­tive Index

1.487

Boil­ing Point

86-90 °C/14 mmHg(lit.)

Melt­ing Point

40-42 °C(lit.)

Flash Point

99 °C

Den­si­ty

1.4 g/​mL

Safe­ty Data

Sym­bol

exclamation-mark-jpgGHS07

Sig­nal Word

Warn­ing

Haz­ard Statements

H302-H312-H315-H319-H332-H335

Pre­cau­tion­ary Statements

P261-P280-P305 + P351 + P338

Per­son­al Pro­tec­tive Equipment

dust mask type(N95) US, Eye Shields, Gloves

Haz­ard Codes (Europe)

Xn

Risk State­ments (Europe)

36/37/38-52/53

Safe­ty State­ments (Europe)

7-26-27-37/39

RIDADR

UN 2206 6.1/PG 3 

WGK Germany

3 

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Sorafenib inter­me­di­ate CAS 327-78-6

Puri­ty

99%min(By HPLC)

Iden­ti­fi­ca­tion Method

HNMR, HPLC

Known Appli­ca­tion

The inter­me­di­ate of sorafenib (CAS 327-78-6), which is a drug approved for the treat­ment of pri­ma­ry kid­ney can­cer (advanced renal cell car­ci­no­ma) and advanced pri­ma­ry liv­er can­cer (hepa­to­cel­lu­lar car­ci­no­ma)

Pro­duc­tiv­i­ty

1000kg/​month

Wat­­son-Int Link

http://​wat​son​-int​.com/​I​n​t​e​r​m​e​d​i​a​t​e​-​o​f​-​s​o​r​a​f​e​n​i​b​_​C​A​S​_​3​2​7​-​7​8​-​6​.​h​tml