Basic information
- CAS
106943-83-3- Standard SMILES
CCCCCOc1ccc(C#N)c(C#N)c1- InChIKey
LEYRHJFOAFEIDH-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Names & identifiers
- Preferred name
- 4-Pentyloxyphthalonitrile
- IUPAC
- 4-pentoxybenzene-1,2-dicarbonitrile
- English name
- 4-n-Pentyloxyphthalonitrile
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
106943-83-34-PentyloxyphthalonitrileDTXSID80336995RefChem:526267DTXCID00288083679-836-94-(Pentyloxy)phthalonitrile4-N-Pentyloxyphthalonitrile4-pentoxybenzene-1,2-dicarbonitrileMFCD000591034-(pentyloxy)benzene-1,2-dicarbonitrile1,2-Dicyano-4-pentyloxybenzene
Show more names
4-Pentyloxyphthalonitrile>1,2-Dicyano-4-pentyloxybenzene4-N-PENTYLOXYPHTHALONITRILE 98+%1,2-Benzenedicarbonitrile, 4-(pentyloxy)-4-Amyloxyphthalonitrile 1,2-Dicyano-4-pentyloxybenzene
4-Amyloxyphthalonitrile4-pentoxyphthalonitrile1,2-DICYANO-4-N-PENTYLOXYBENZENE4-pentyloxy phthalonitrile4-Pentyloxyphthalonitrile>SCHEMBL121907234-N-AMYLOXYPHTHALONITRILEAKOS015839671
Database identifiers
- CAS
106943-83-3- PubChem CID
- 537786
- DTXSID
DTXSID80336995- EC Number
- 679-836-9
- Nikkaji
- J208.924F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 35 °C · 35 °C
- Boiling point
- 387.9 · 387.9±32.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
- HS Code
- 2926.9 · 2926.90.4801
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2926.90.4801
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Applications
Uses4-Pentyloxyphthalonitrile is used as a reactant in the preparation of metal-free phthalocyanines.
Suppliers30 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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