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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

long-term toxicity to fish
Type of information:
Adequacy of study:
other information
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference Type:
other: (Q)SAR
No information
ECOSAR v1.00

Materials and methods

Test material

Constituent 1
Reference substance name:
Automatically generated during migration to IUCLID 6, no data available
Automatically generated during migration to IUCLID 6, no data available
Details on test material:
Based on 100% purity

Study design

Test type:
other: Calculation

Results and discussion

Effect concentrations
Dose descriptor:
other: ChV
Effect conc.:
66.351 mg/L

Any other information on results incl. tables

SMILES : O=S(=O)(O)c(c(N)ccc1C)c1

CHEM : Benzenesulfonic acid, 2-amino-5-methyl-

CAS Num: 88-44-8




MOL FOR: C7 H9 N1 O3 S1

MOL WT : 187.21

Log Kow: -0.67 (User entered)

Melt Pt: 312.00 deg C

Wat Sol: 6000 mg/L (measured)

ECOSAR v1.00 Class(es) Found


Anilines (Aromatic Amines)-acid

Note: SARs use Entered MW (187.21) instead of SMILES MW (187.21)


ECOSAR Class Organism Duration End Pt mg/L (ppm)

=========================== ================== ======== ====== ==========

--> Acid moeity found: Predicted values multiplied by 10

Anilines (Aromatic Amines)-a: Fish 96-hr LC50 6644.022 *

Anilines (Aromatic Amines)-a: Fish 14-day LC50 1.54e+005 *

Anilines (Aromatic Amines)-a: Daphnid 48-hr LC50 60.311

Anilines (Aromatic Amines)-a: Green Algae 96-hr EC50 157.608

Anilines (Aromatic Amines)-a: Fish           ChV 66.351

Anilines (Aromatic Amines)-a: Daphnid        ChV 2.089

Anilines (Aromatic Amines)-a: Green Algae ChV 117.684

=========================== ================== ======== ====== ==========

Neutral Organic SAR : Fish 96-hr LC50 26204.934 *

(Baseline Toxicity) : Daphnid 48-hr LC50 10949.846 *

: Green Algae 96-hr EC50 1578.389

: Fish ChV 2638.852

: Daphnid ChV 630.742

: Green Algae ChV 350.819

Note: * = asterisk designates: Chemical may not be soluble

enough to measure this predicted effect.

Anilines (Aromatic Amines):


For Fish Acute Toxicity Values: 2,3,5,6-Tetrachloroaniline is 19 times

more toxic than predicted by this SAR. Tetrabromoaniline may be more toxic

than predicted by this SAR as well.

For Daphnid and Green Algae Toxicity Values: Tetrachloro- and tetrabrom-

aniline may be 20 times toxic than predicted by this SAR.

N-Substituted anilines are less toxic than predicted by these SARs;

for these compounds, Neutral Organic SARs are used.

ECOSAR v1.00 SAR Limitations:


Maximum LogKow: >7.8 (Fish 96-hr LC50, Daphnid 48-h LC50)

Maximum LogKow: >3.7 (Fish 14-day LC50)

Maximum LogKow: >4 (Green Algae 96-hr EC50 and ChV)

Maximum LogKow: >4.3 (Fish ChV)

Maximum LogKow: >2.4 (Daphnid ChV)

Maximum Mol Wt: 1000

Baseline Toxicity SAR Limitations:


Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)

Maximum LogKow: 6.4 (Green Algae EC50)

Maximum LogKow: 8.0 (ChV)

Maximum Mol Wt: 1000

Applicant's summary and conclusion