p-tert-Butylbenzohydrazid

Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide

HCID 123513CAS 43100-38-5

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Grundinformationen

Standard-SMILES: CC(C)(C)c1ccc(C(=O)NN)cc1
InChIKey: XYUFQWDLRLHUPB-UHFFFAOYSA-N
Summenformel: C11H16N2O
Durchschnittliche Molmasse: 192,26 g/mol
Monoisotopische Masse: 192,12626313

Namen und Bezeichner

Bevorzugter Name: Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide
IUPAC: 4-tert-butylbenzohydrazide
Lokaler Name: p-tert-Butylbenzohydrazid
Englischer Name: 4-tert-Butylbenzhydrazide
Summenformel: C11H16N2O
Molmasse: 192.26

Namen und Synonyme

43100-38-54-tert-ButylbenzohydrazideBenzoic acid, 4-(1,1-dimethylethyl)-, hydrazidep-tert-ButylbenzohydrazideEINECS 256-090-9DTXSID7074747RefChem:565863DTXCID3040229256-090-94-tert-Butylbenzhydrazide4-(tert-Butyl)benzohydrazide4-tert-Butylbenzoic hydrazide

Weitere Namen anzeigen

4-TERT-BUTYLBEAKOS BBS-00004509BUTTPARK 44\03-79Butylbenzhydrazide4-tert-ButylbenzhydrLABOTEST-BB LT00454438

4-tert-butylbenzhyrazide4-tert-Butylbenzoic acid hydrazideMFCD000147634-(tert-butyl)benzenecarbohydrazide4-t-Butylbenzhydrazide4-t-butyl-benzhydrazideMaybridge1_008514p-(t-butyl)-benzhydrazide

Datenbank-Bezeichner

CAS: 43100-38-5
PubChem CID: 123513
DTXSID: DTXSID7074747
UNII: BE762NHT78
EC Number: 256-090-9
Nikkaji: J30.697E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 200

Experimentelle und physikochemische Eigenschaften

Physical DescriptionDry Powder

Physikochemische Eigenschaften

Schmelzpunkt: 120 · 120-127 °C(lit.)
Dichte: 1.046 · 1.046±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 12.82 · 12.82±0.10(Predicted)
Farbe: White to Almost white
BRN: 1104663 · 1104663
InChI: InChI=1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKey: XYUFQWDLRLHUPB-UHFFFAOYSA-N
SMILES: C(NN)(=O)C1=CC=C(C(C)(C)C)C=C1
CAS Datenbank: 43100 · 43100-38-5(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Tert-butylbenzoic acid hydrazide(43100-38-5)
EPA chemische Informationen: 4 · Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide (43100-38-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29280000
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 24/25-36/37-26-37
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3