2-METHYL-5-PHENYL-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT

CAS No.
66142-15-2
CCD No.
CCD00070741
Formula
C17 H17 N O4 S
MolWeight
331.39

Basic Information

Product Name: 2-METHYL-5-PHENYL-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT
CAS: 66142-15-2
English Synonyms: 2-METHYL-3-SULFOPROPYL-5-PHENYL-BENZOXAZOLE-BETAINE ; 2-METHYL-5-PHENYL-N-3-SULFOPROPYLBENZOXAZOLIUMBETAINE ; 2-METHYL-5-PHENYL-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT ; 3-(2-METHYL-5-PHENYL-1,3-BENZOXAZOL-3-IUM-3-YL)-1-PROPANESULFONATE ; 3-(2-METHYL-5-PHENYL-1,3-BENZOXAZOL-3-IUM-3-YL)PROPANE-1-SULFONATE
MDL Number.: MFCD00142941
H bond acceptor: 5
H bond donor: 0
Smile: Cc1[n+](c2cc(ccc2o1)c3ccccc3)CCCS(=O)(=O)[O-]
InChi: InChI=1S/C17H17NO4S/c1-13-18(10-5-11-23(19,20)21)16-12-15(8-9-17(16)22-13)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3
InChiKey: InChIKey=DKMBQSTXNOURJD-UHFFFAOYSA-N

Property

Melting Point: 286-288 DEG C(LIT)
Comments: UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36
WGK Germany: 3

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