Basic information
- CAS
73075-43-1- Standard SMILES
Clc1cccc2c1CCNC2- InChIKey
OHOZWCJUZQXMAW-UHFFFAOYSA-N- Molecular formula
- C9H10ClN
- Average molar mass
- 167.63 g/mol
- Monoisotopic mass
- 167.050177
Names & identifiers
- Preferred name
- 5-Chloro-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 5-chloro-1,2,3,4-tetrahydroisoquinoline
- English name
- 5-Chloro-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C9H10ClN
- Molecular weight
- 167.64
Names & synonyms
5-Chloro-1,2,3,4-tetrahydroisoquinoline73075-43-1DTXSID70503775RefChem:302158DTXCID60454585832-577-75-Chloro-1,2,3,4-tetrahydro-isoquinolineMFCD08544277ISOQUINOLINE, 5-CHLORO-1,2,3,4-TETRAHYDRO-SCHEMBL586408CHEMBL148969SCHEMBL2750868
Show more names
C901025-chloro-1,2,3,4-tetrahydroisoquinoline(SALTDATA: HCl)
SCHEMBL30199571OHOZWCJUZQXMAW-UHFFFAOYSA-NAKOS009279184AB45748AS-30610SY042844DB-012180CS-0137830
Database identifiers
- CAS
73075-43-1- PubChem CID
- 12595083
- DTXSID
DTXSID70503775- ChEMBL
CHEMBL148969- EC Number
- 832-577-7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 276 · 276 ºC
- Density
- 1.162 · 1.162
- Flash point
- 121 · 121 ºC
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.94 · 8.94±0.20(Predicted)
- Appearance
- White to light yellow Solid-liquid mixture
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers43 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海仁曲医药科技有限公司18171398856 2968382473 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
Related reactions
5 records
Compound notes
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