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598-30-1 molecular structure
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butan-2-yllithium

ChemBase ID: 129423
Molecular Formular: C4H9Li
Molecular Mass: 64.05526
Monoisotopic Mass: 64.08642984
SMILES and InChIs

SMILES:
[Li]C(C)CC
Canonical SMILES:
CCC(C)[Li]
InChI:
InChI=1S/C4H9.Li/c1-3-4-2;/h3H,4H2,1-2H3;
InChIKey:
VATDYQWILMGLEW-UHFFFAOYSA-N

Cite this record

CBID:129423 http://www.chembase.cn/molecule-129423.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butan-2-yllithium
IUPAC Systematic name
Butan-2-yllithium
IUPAC Traditional name
sec-butyllithium
Synonyms
Sec-Butyllithium
s-BuLi
Lithium-2-butanide
sec-Butyllithium solution
2-丁基锂
仲丁基锂 溶液
CAS Number
598-30-1
EC Number
209-927-7
MDL Number
MFCD00009323
Beilstein Number
3587206
PubChem SID
162223717
24851700
PubChem CID
102446
Chemspider ID
10254345
Wikipedia Title
Sec-Butyllithium

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
195596 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6137  LogD (pH = 7.4) 1.6137 
Log P 1.6137  Molar Refractivity 18.9539 cm3
Polarizability 9.328749 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.769 g/mL at 25 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
UN Number
3394 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
4.2 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
11-15-34-50/53-65-67 expand Show data source
Safety Statements
26-36/37/39-43-45-61-62 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H304-H314-H336-H410 expand Show data source
GHS Precautionary statements
P210-P261-P273-P280-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3394 4.2/PG 1 expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
1.4 M in cyclohexane expand Show data source
Linear Formula
CH3CH2CH(CH3)Li expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 195596 external link
Packaging
4×25, 50, 100, 800 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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