Basic information
- CAS
6707-12-6- Standard SMILES
OCC1(CO)CC2C=CC1C2- InChIKey
DSHXMENPUICESR-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- 4,4-Di(hydroxymethyl)bicyclo(2.2.1)heptene
- IUPAC
- [2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
- English name
- 5-Norbornene-2,2-dimethanol
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
Bicyclo[2.2.1]hept-5-ene-2,2-dimethanolBicyclo(2.2.1)hept-5-ene-2,2-dimethanol4,4-Di(hydroxymethyl)bicyclo(2.2.1)hepteneDTXSID308843304,4-Di(hydroxymethyl)bicyclo[2.2.1]hepteneRefChem:507206DTXCID801021368624-593-65-Norbornene-2,2-dimethanol6707-12-6Bicyclo[2.2.1]hept-5-ene-2,2-diyldimethanolMFCD00167595
Show more names
Norborna-5-ene-2,2-dimethanol5-Norbornene-2,2-dimethanol>5-NORBORNENE-2,2-DIMETHANOL 95+%Bicyclo[2.2.1]hepta-5-ene-2,2-bismethanol(6-methylol-6-bicyclo[2.2.1]hept-2-enyl)methanol5-(Hydroxymethyl)-5-bicyclo[2.2.1]hept-2-enyl]methanol
[2-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-yl]methanol[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol2,2-Bis(hydroxymethyl)-5-norborneneN06365-Norbornene-2.2-dimethanolSCHEMBL4661902,2-bishydroxymethyl-5-norbornene2,2-di-hydroxymethyl-norborn-5-ene
Database identifiers
- CAS
6707-12-6
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 111 · 111-113 °C (lit.)
- Boiling point
- 252.9 · 252.9±15.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- solubility
- very faint turbidity in Methanol
- form
- powder to crystal
- pka
- 14.62 · 14.62±0.10(Predicted)
- color
- White to Light yellow
- InChI
- 1S/C9H14O2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h1-2,7-8,10-11H,3-6H2/t7-,8+/m0/s1
- InChIKey
- DSHXMENPUICESR-JGVFFNPUSA-N
- SMILES
- OCC1(CO)C[C@@H]2C[C@H]1C=C2
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol (6707-12-6)
- UNSPSC Code
- 12352300 · 12352300
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2906190090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[2.2.1]hept-5-ene-2,2-dimethanol: INACTIVE
Suppliers40 total
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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州启航生物科技有限公司18151111370
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
9 records
Compound notes
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