3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid

Modify Date: 2025-08-25 12:37:42

3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid Structure
3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid structure
Common Name 3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid
CAS Number 87033-45-2 Molecular Weight 290.76500
Density 1.46g/cm3 Boiling Point 466ºC at 760 mmHg
Molecular Formula C15H11ClO2S Melting Point N/A
MSDS N/A Flash Point 235.7ºC

 Names

Name 3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.46g/cm3
Boiling Point 466ºC at 760 mmHg
Molecular Formula C15H11ClO2S
Molecular Weight 290.76500
Flash Point 235.7ºC
Exact Mass 290.01700
PSA 62.60000
LogP 4.43090
Index of Refraction 1.708
InChIKey UDULSEXXHDFOIO-UHFFFAOYSA-N
SMILES O=C(O)C1=CC2=C(CCC(Cl)=C2)Sc2ccccc21

 Synthetic Route

~61%

3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid Structure

3-chloro-1,2-di...

CAS#:87033-45-2

Literature: Sindelar; Holubek; Ryska; et al. Collection of Czechoslovak Chemical Communications, 1983 , vol. 48, # 4 p. 1187 - 1211

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3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid Structure

3-chloro-1,2-di...

CAS#:87033-45-2

Literature: Sindelar; Holubek; Ryska; et al. Collection of Czechoslovak Chemical Communications, 1983 , vol. 48, # 4 p. 1187 - 1211

~%

3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid Structure

3-chloro-1,2-di...

CAS#:87033-45-2

Literature: Sindelar; Holubek; Ryska; et al. Collection of Czechoslovak Chemical Communications, 1983 , vol. 48, # 4 p. 1187 - 1211

 Synonyms

2-chloro-3,4-dihydrodibenzo[b,f]thiepine-10-carboxylic acid
10,11-Dihydro-2-chlorodibenzo(b,f)thiepin-10-carboxylic acid
2-chloro-10,11-dihydrodibenzo<b,f>thiepin-10-carboxylic acid
DIBENZO(b,f)THIEPIN-10-CARBOXYLIC ACID,10,11-DIHYDRO-2-CHLORO
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