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85654-07-5 molecular structure
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[(4-chlorophenyl)methylidene](trimethylsilyl)amine

ChemBase ID: 151733
Molecular Formular: C10H14ClNSi
Molecular Mass: 211.76336
Monoisotopic Mass: 211.05840367
SMILES and InChIs

SMILES:
C[Si](C)(C)/N=C/c1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)/C=N/[Si](C)(C)C
InChI:
InChI=1S/C10H14ClNSi/c1-13(2,3)12-8-9-4-6-10(11)7-5-9/h4-8H,1-3H3
InChIKey:
XLCRIROPKDZGLD-UHFFFAOYSA-N

Cite this record

CBID:151733 http://www.chembase.cn/molecule-151733.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-chlorophenyl)methylidene](trimethylsilyl)amine
IUPAC Traditional name
[(4-chlorophenyl)methylidene](trimethylsilyl)amine
Synonyms
N-(4-Chlorobenzylidene)trimethylsilylamine
N-(Trimethylsilyl)-4-chlorobenzaldimine
N-(4-氯亚苄基)三甲基硅基胺
N-(三甲基硅基)-4-氯苯甲醛亚胺
CAS Number
85654-07-5
MDL Number
MFCD12546039
PubChem SID
162245883
PubChem CID
10932749

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
704644 external link Add to cart Please log in.
Data Source Data ID
PubChem 10932749 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4258196  LogD (pH = 7.4) 3.908568 
Log P 4.1159  Molar Refractivity 56.0442 cm3
Polarizability 23.203568 Å3 Polar Surface Area 12.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
27-36 °C expand Show data source
Flash Point
129.2 °F expand Show data source
54 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1325 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
11-36/37/38 expand Show data source
Safety Statements
26-36/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H228-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1325 4.1/PG 3 expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C10H14ClNSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 704644 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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