Basic information
- CAS
204068-75-7- Standard SMILES
O=C(O)c1[nH]cc2c1CCCC2- InChIKey
GLAUSPDJGYRFQK-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid
- IUPAC
- 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid
- English name
- 2H-Isoindole-1-carboxylicacid,4,5,6,7-tetrahydro-(9CI)
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic Acid204068-75-7DTXSID50438137RefChem:285149DTXCID80388959826-496-6MFCD097515722H-Isoindole-1-carboxylicacid, 4,5,6,7-tetrahydro-SCHEMBL1149658GLAUSPDJGYRFQK-UHFFFAOYSA-NEIA06875AKOS006328579
Show more names
2H-Isoindole-1-carboxylic acid, 4,5,6,7-tetrahydro-2H-Isoindole-1-carboxylicacid,4,5,6,7-tetrahydro-(9CI)
SY526992TS-02212DB-367122CS-0436356EN300-370837G31081F7641214,5,6,7-tetrahydro-2H-isoindole-1-carboxylicAcid
Database identifiers
- CAS
204068-75-7- PubChem CID
- 10329645
- DTXSID
DTXSID50438137- EC Number
- 826-496-6
- Nikkaji
- J501.673H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 395.6 · 395.6±42.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 2.02 · 2.02±0.20(Predicted)
- Appearance
- Brown to black Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]
济南偶联医药科技有限公司15953106631 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
3 records
Compound notes
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