Basic information
- CAS
34859-74-0- Standard SMILES
O=C(O)C12CC3CC(CC(Cl)(C3)C1)C2- InChIKey
GMOBHRQSNDDZAD-UHFFFAOYSA-N- Molecular formula
- C11H15ClO2
- Average molar mass
- 214.69 g/mol
- Monoisotopic mass
- 214.0760574
Names & identifiers
- Preferred name
- 3-Chloroadamantane-1-carboxylic acid
- IUPAC
- 3-chloroadamantane-1-carboxylic acid
- English name
- 3-Chloroadamantane-1-carboxylic acid
- Molecular formula
- C11H15ClO2
- Molecular weight
- 214.69
Names & synonyms
3-chloroadamantane-1-carboxylic acidDTXSID90956345RefChem:500452DTXCID20138431234859-74-01-Chloro-3-adamantanecarboxylic acid3-chloroadamantanecarboxylic acidtricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, 3-chloro-MFCD00167831(1r,3s,5R,7S)-3-chloroadamantane-1-carboxylic acidBRN 21031723-ADAMANTANECARBOXYLIC ACID, 1-CHLORO-
Show more names
AKOS BB-9607IFLAB-BB F1928-00043-CHLOROADAMANTANE CARBOXYLIC ACID1-chloro-3-adamantanecarboxylicaci1-chloro-3-adamantanecarboxylicacid(5S,7R)-3-chloro-1-adamantanecarboxylateAVO3-Chloroadamantane-1-carboxylic Acid
CDS1_000882Maybridge1_005634DivK1c_001922SCHEMBL301574HMS557I02ALBB-0138213-chloro-1-adamantanecarboxylic acidCCG-45625
Database identifiers
- CAS
34859-74-0- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 286
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 136 °C · 136 °C
- storage temp.
- 2 · 2-8°C
- form
- Solid
- CAS DataBase Reference
- 34859 · 34859-74-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers27 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
重庆茂环科技有限公司13996103726 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
台州川旭医药科技有限公司[email protected] · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
嘉兴市浙嘉生物科技有限公司
Related reactions
2 records
Compound notes
Loading…